Information card for entry 1529307

Structure parameters

• Formula: C29 H36 O7 Si
• Calculated formula: C29 H36 O7 Si
• SMILES: [Si]1(O[C@@]2([C@@]3(OCCCC3)[C@H](OCc3ccccc3)C3(OCCO3)c3c2cccc3OC)C(=C)CO1)(C)C.[Si]1(O[C@]2([C@]3(OCCCC3)[C@@H](OCc3ccccc3)C3(OCCO3)c3c2cccc3OC)C(=C)CO1)(C)C
• Title of publication: Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.
• Authors of publication: Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3746 - 3749
• a: 14.1631 ± 0.0005 Å
• b: 11.4869 ± 0.0004 Å
• c: 16.4977 ± 0.0005 Å
• α: 90°
• β: 94.808 ± 0.001°
• γ: 90°
• Cell volume: 2674.57 ± 0.16 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No