Information card for entry 7238228

Structure parameters

• Formula: C12 H20 N2 O2
• Calculated formula: C12 H20 N2 O2
• 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: 6.169 ± 0.002 Å
• b: 6.177 ± 0.002 Å
• c: 17.569 ± 0.009 Å
• α: 84.46 ± 0.04°
• β: 86.65 ± 0.04°
• γ: 66.44 ± 0.02°
• Cell volume: 610.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No