Information card for entry 7156124

Structure parameters

• Formula: C17 H22 O7
• Calculated formula: C17 H22 O7
• SMILES: O1C(=O)[C@@]2(O)C[C@@]([C@]31CC[C@H]([C@]1([C@@]23OC(=O)C1)C)C)(C(=O)OC)C
• Title of publication: Norcrassin A, a novel C₁₆ tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.
• Authors of publication: Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1745 - 1750
• a: 8.16871 ± 0.00017 Å
• b: 8.25025 ± 0.00017 Å
• c: 23.3395 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.94 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No