Information card for entry 2003515

Structure parameters

• Chemical name: 11,12-seco-12,13-didehydromultiflorine perchlorate hydrate
• Formula: C15 H25 Cl N2 O6
• Calculated formula: C15 H25.07 Cl N2 O6
• Title of publication: 11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate
• Authors of publication: Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1182 - 1184
• a: 8.014 ± 0.002 Å
• b: 8.633 ± 0.002 Å
• c: 12.6 ± 0.003 Å
• α: 90°
• β: 90.53 ± 0.03°
• γ: 90°
• Cell volume: 871.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.1741
• Weighted residual factors for significantly intense reflections: 0.1069
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No