Information card for entry 2007004

Structure parameters

• Common name: chasmaconitine
• Formula: C34.5 H49 N O9.5
• Calculated formula: C34.5 H47 N O9.5
• Title of publication: Chasmaconitine 0.5-Methanol Solvate
• Authors of publication: Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 236 - 238
• a: 31.919 ± 0.005 Å
• b: 9.399 ± 0.002 Å
• c: 11.26 ± 0.003 Å
• α: 90°
• β: 93.83 ± 0.01°
• γ: 90°
• Cell volume: 3370.5 ± 1.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 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: 0.0692
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1713
• Weighted residual factors for significantly intense reflections: 0.1574
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No