Information card for entry 2001262

Structure parameters

• Formula: C17 H21 N3 O6
• Calculated formula: C17 H21 N3 O6
• Title of publication: Structure of a cyclohexanone derivative
• Authors of publication: Ravikumar, K.; Mehdi, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2027 - 2030
• a: 10.196 ± 0.002 Å
• b: 9.233 ± 0.002 Å
• c: 20.068 ± 0.004 Å
• α: 90°
• β: 90.33 ± 0.01°
• γ: 90°
• Cell volume: 1889.2 ± 0.7 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Diffraction radiation wavelength: 0.71063 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No