Information card for entry 7238229

Structure parameters

• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• Title of publication: Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives
• Authors of publication: Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3132
• a: 10.41 ± 0.003 Å
• b: 6.865 ± 0.002 Å
• c: 14.194 ± 0.003 Å
• α: 90°
• β: 105.17 ± 0.01°
• γ: 90°
• Cell volume: 979 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No