Information card for entry 2203107

Structure parameters

• Formula: C20 H27 N O4
• Calculated formula: C20 H27 N O4
• SMILES: N1[C@H]2[C@@H]3[C@@H](OC1=O)[C@H](O)[C@H]1C(CCC[C@@]1([C@H]3Cc1occc21)C)(C)C
• Title of publication: 6α-Hydroxy-17β-azavouacapane-17,7β-carbolactone
• Authors of publication: Abrahão-Júnior, Odonirio; Guilardi, Silvana; Maltha, Celia Regina A.; Piló-Veloso, Dorila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o72 - o74
• a: 8.3541 ± 0.001 Å
• b: 13.6308 ± 0.001 Å
• c: 15.4932 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.3 ± 0.3 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes