Information card for entry 2011748

Structure parameters

• Common name: Nodosin
• Chemical name: Nodosin
• Formula: C20 H26 O6
• Calculated formula: C20 H26 O6
• SMILES: O[C@@H]1OC[C@@]23[C@@H](OC(=O)[C@]45[C@H]3[C@H](O)C[C@H](C4)C(=C)C5=O)CCC([C@@H]12)(C)C
• Title of publication: Nodosin
• Authors of publication: Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 203 - 204
• a: 7.474 ± 0.003 Å
• b: 15.262 ± 0.006 Å
• c: 15.87 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes