Information card for entry 1518868

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: C1C[C@@]2(O)[C@@]3(C)[C@@H]4[C@H](OC3=O)Cc3c([C@@]14CO2)cc(c1c3occ1)OC
• Title of publication: 17-Norpimaranes and (9βH)-17-Norpimaranes from the Tuber of Icacina trichantha.
• Authors of publication: Zhao, Ming; Onakpa, Michael Monday; Chen, Wei-Lun; Santarsiero, Bernard D.; Swanson, Steven M.; Burdette, Joanna E.; Asuzu, Isaac Uzoma; Che, Chun-Tao
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 789 - 796
• a: 6.2991 ± 0.0002 Å
• b: 10.5035 ± 0.0004 Å
• c: 24.7572 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1638 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No