Information card for entry 2010148

Structure parameters

• Chemical name: endo-(5R,6R,11S,12S)-5,6,11,12-tetrahydro-6-hydroxy-4,11,12-trimethoxy- 9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7H)- benzocyclodecenone
• Formula: C24 H36 O6 Si
• Calculated formula: C24 H36 O6 Si
• SMILES: [Si](O[C@H]1[C@@]2(O)CC(=O)[C@H]([C@@H]([C@H](OC)[C@@H](OC)c3c1c(OC)ccc3)C2(C)C)C)(C)(C)C
• Title of publication: <i>endo</i>-(5<i>R</i>,6<i>R</i>,11<i>S</i>,12<i>S</i>)-5,6,11,12-Tetrahydro-6-hydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7<i>H</i>)-benzocyclodecenone
• Authors of publication: Takenaka, Yasuyuki; Kubo, Sachiyo; Ohashi, Yuji; Nakamura, Takashi; Waizumi, Nobuaki; Horiguchi, Yoshiaki; Kuwajima, Isao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1820 - 1821
• a: 15.818 ± 0.002 Å
• b: 30.39 ± 0.001 Å
• c: 10.5707 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5081.4 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.147
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No