Information card for entry 2001640

Structure parameters

• Formula: C26 H40 O5 Si
• Calculated formula: C26 H40 O5 Si
• SMILES: [Si](O[C@@]12[C@@H](OC)c3c([C@H](O)[C@H](C2)C(C(=C1C)C=O)(C)C)c(OC)ccc3)(C)(C)C(C)(C)C.[Si](O[C@]12[C@H](OC)c3c([C@@H](O)[C@@H](C2)C(C(=C1C)C=O)(C)C)c(OC)ccc3)(C)(C)C(C)(C)C
• Title of publication: Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,10<i>R</i>*,11<i>S</i>*)-10-(<i>tert</i>-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7<i>H</i>)-benzocyclononene-8-carbaldehyde
• Authors of publication: Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1201 - 1203
• a: 16.43 ± 0.004 Å
• b: 10.819 ± 0.001 Å
• c: 15.536 ± 0.004 Å
• α: 90°
• β: 105.52 ± 0.01°
• γ: 90°
• Cell volume: 2660.9 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No