Information card for entry 1508321

Structure parameters

• Formula: C30 H52 O7
• Calculated formula: C30 H52 O7
• SMILES: OC(C)(C)[C@H]1O[C@@](CC1)(C)[C@H]1O[C@@](CC1)(C)[C@H]1O[C@H](CC1)[C@]1(O[C@H](CC1)[C@]1(O[C@H](CC1)C(O)(C)C)C)C
• Title of publication: Two concise enantioselective total syntheses of (-)-glabrescol implicate alternative biosynthetic pathways starting from squalene.
• Authors of publication: Yang, Peng; Li, Pei-Fang; Qu, Jin; Tang, Liang-Fu
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3932 - 3935
• a: 9.639 ± 0.004 Å
• b: 10.137 ± 0.004 Å
• c: 31.136 ± 0.013 Å
• α: 90°
• β: 94.509 ± 0.009°
• γ: 90°
• Cell volume: 3033 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No