Information card for entry 7207804

Structure parameters

• Formula: C16 H19 N2 O5.5
• Calculated formula: C16 H19 N2 O5.5
• Title of publication: Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin
• Authors of publication: Graus, Sara; Uriel, Santiago; Serrano, José Luis
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3759
• a: 20.003 ± 0.004 Å
• b: 13.847 ± 0.003 Å
• c: 12.636 ± 0.002 Å
• α: 90°
• β: 113.54 ± 0.01°
• γ: 90°
• Cell volume: 3208.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No