Information card for entry 2005020

Structure parameters

• Formula: C37 H40 N2 O6
• Calculated formula: C38 H43 N2 O7
• Title of publication: Oxyacanthine
• Authors of publication: Sivý, J.; Kettmann, V.; Kostálová, D.; Vrábel, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1479 - 1482
• a: 10.749 ± 0.006 Å
• b: 13.068 ± 0.005 Å
• c: 22.643 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181 ± 2 ų
• Cell temperature: 293 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: 0.053
• Weighted residual factors for all reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for all reflections: 1.228
• Goodness-of-fit parameter for significantly intense reflections: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No