Information card for entry 2222206

Structure parameters

• Formula: C30 H42 N2 O4
• Calculated formula: C30 H42 N2 O4
• SMILES: o1nc2C[C@]3([C@H](C(c2n1)(C)C)CC[C@@]1([C@@H]3C(=O)C=C2[C@]1(CC[C@@]1([C@H]2C[C@@](CC1)(C)C(=O)O)C)C)C)C
• Title of publication: 1,2,5-Oxadiazolo[3,4-<i>b</i>]glycyrrhetinic acid
• Authors of publication: Hu, Jun; Yu, Libing; Wang, Ruji; Ju, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1547
• a: 8.5489 ± 0.0011 Å
• b: 10.9019 ± 0.0018 Å
• c: 28.898 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0809
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No