Information card for entry 7238226

Structure parameters

• Formula: C9 H14 N2 O3
• Calculated formula: C9 H14 N2 O3
• 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: 11.1273 ± 0.0018 Å
• b: 6.5676 ± 0.0012 Å
• c: 14.1016 ± 0.0019 Å
• α: 90°
• β: 101.282 ± 0.006°
• γ: 90°
• Cell volume: 1010.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1253
• 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