Information card for entry 2241772

Structure parameters

• Formula: C17 H28 N2 O3
• Calculated formula: C17 H28 N2 O3
• SMILES: O1N2[C@]3(N(C)C(=O)[C@@H]2[C@@H]2[C@H]1COC2)[C@H](C(C)C)CC[C@H](C3)C
• Title of publication: Crystal structure of 2-isopropyl-5,7'-dimethyl-1',3',3a',6',8a',8b'-hexahydrospiro[cyclohexane-1,6'-furo[3,4-<i>d</i>]imidazo[1,5-<i>b</i>]isoxazol]-8'(7'<i>H</i>)-one
• Authors of publication: Abda, Heithem; Ezzayani, Khaireddine; Aouadi, Kaiss; Guerfel, Taha; Vidal, Sebastien; Msaddek, Moncef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1150 - 1152
• a: 7.7474 ± 0.0006 Å
• b: 11.1404 ± 0.0008 Å
• c: 19.208 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0287
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes