Information card for entry 2008851

Structure parameters

• Chemical name: 6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide
• Formula: C26 H39 N O4
• Calculated formula: C26 H39 N O4
• SMILES: C1CCC([C@@H]2[C@H]([C@@H]([C@@H]3[C@@H]([C@@]12C)Cc1c([C@H]3C(=O)NC2CCCCC2)cco1)O)O)(C)C
• Title of publication: <i>N</i>-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide
• Authors of publication: Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1297 - 1299
• a: 29.277 ± 0.002 Å
• b: 8.9805 ± 0.0008 Å
• c: 9.8486 ± 0.0006 Å
• α: 90°
• β: 106.248 ± 0.0001°
• γ: 90°
• Cell volume: 2486 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.107
• Goodness-of-fit parameter for all reflections: 1.145
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No