Information card for entry 2008071

Structure parameters

• Common name: indaconitine
• Formula: C35 H48.5 N1.5 O10
• Calculated formula: C35 H48.5 N1.5 O10
• Title of publication: Indaconitine 0.5-acetonitrile solvate
• Authors of publication: Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 70 - 72
• a: 32.802 ± 0.003 Å
• b: 9.267 ± 0.002 Å
• c: 11.756 ± 0.002 Å
• α: 90°
• β: 108.93 ± 0.01°
• γ: 90°
• Cell volume: 3380.3 ± 1 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: 0.074
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes