Information card for entry 2231714

Structure parameters

• Chemical name: Bis[<i>N</i>-Cyclohexyl-1-(2-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-3,5- dioxo-1,2-oxazolidin-4-yl)cyclopentanecarboxamide] monohydrate
• Formula: C28 H44 N3 O5.5
• Calculated formula: C28 H44 N3 O5.5
• SMILES: O=C1ON(C(=O)C1C1(CCCC1)C(=O)NC1CCCCC1)C1(CCCCC1)C(=O)NC1CCCCC1.O
• Title of publication: Bis[<i>N</i>-cyclohexyl-1-(2-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-3,5-dioxo-1,2-oxazolidin-4-yl)cyclopentanecarboxamide] monohydrate
• Authors of publication: Sheikhhosseini, Enayatollah; Vafadarnejad, Fahime; Habibi, Azizollah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2239
• a: 11.3084 ± 0.0006 Å
• b: 12.3119 ± 0.0007 Å
• c: 20.7904 ± 0.0011 Å
• α: 102.686 ± 0.001°
• β: 103.104 ± 0.001°
• γ: 93.1 ± 0.001°
• Cell volume: 2733.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes