Information card for entry 2004368

Structure parameters

• Chemical name: 2-Cyano-2-methylsparteine perchlorate
• Formula: C17 H28 Cl N3 O4
• Calculated formula: C17 H28 Cl N3 O4
• Title of publication: 2-Cyano-2-methylsparteine Perchlorate
• Authors of publication: Kubicki, M.; Borowiak, T.; Boczoń, Wł.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 226 - 228
• a: 9.8502 ± 0.0011 Å
• b: 20.462 ± 0.002 Å
• c: 9.2056 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.148
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes