Abstract
In the title compound, C36H42O8, the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by - 0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C - H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C - H⋯O and C - H⋯π interactions, forming a three-dimensional network.
| Original language | English |
|---|---|
| Pages (from-to) | 490-493 |
| Number of pages | 4 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 71 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - May 1 2015 |
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Keywords
- C - H⋯π interactions
- Crystal structure
- Hydrogen bonding
- Hydrogen bonds
- Paclitaxel
- Taxane skeleton
ASJC Scopus subject areas
- Condensed Matter Physics
- Materials Science(all)
- Chemistry(all)
Cite this
Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,-11 SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetra-cyclo[12.3.1.01,5.06,11]octadeca-14,16-dien-10-yl benzoate. / Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka; Ishida, Hiroyuki.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 5, 01.05.2015, p. 490-493.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,-11 SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetra-cyclo[12.3.1.01,5.06,11]octadeca-14,16-dien-10-yl benzoate
AU - Oishi, Takeshi
AU - Fukaya, Keisuke
AU - Yamaguchi, Yu
AU - Sugai, Tomoya
AU - Watanabe, Ami
AU - Sato, Takaaki
AU - Chida, Noritaka
AU - Ishida, Hiroyuki
PY - 2015/5/1
Y1 - 2015/5/1
N2 - In the title compound, C36H42O8, the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by - 0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C - H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C - H⋯O and C - H⋯π interactions, forming a three-dimensional network.
AB - In the title compound, C36H42O8, the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by - 0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C - H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C - H⋯O and C - H⋯π interactions, forming a three-dimensional network.
KW - C - H⋯π interactions
KW - Crystal structure
KW - Hydrogen bonding
KW - Hydrogen bonds
KW - Paclitaxel
KW - Taxane skeleton
UR - http://www.scopus.com/inward/record.url?scp=84928168475&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84928168475&partnerID=8YFLogxK
U2 - 10.1107/S2056989015007136
DO - 10.1107/S2056989015007136
M3 - Article
VL - 71
SP - 490
EP - 493
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 5
ER -