Information card for entry 8106561

Structure parameters

• Formula: C28 H37 N3 O2
• Calculated formula: C28 H37 N3 O2
• SMILES: O=C1N(C(N(C21CCCCC2)C(=O)CN(CCC)CCC)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 2,3-diphenyl-1-[(dipropylamino)acetyl]-1,3-diazaspiro[4.5]decan-4-one, C28H37N3O2
• Authors of publication: Hassan, Rasha M.; Ghabbour, Hazem A.; Aboul-Enein, Mohamed N.; El-Azzouny, Aida A.; Saleh, Ola A.; Attia, Mohamed I.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 433 - 435
• a: 11.0454 ± 0.0004 Å
• b: 21.9125 ± 0.0008 Å
• c: 11.6544 ± 0.0004 Å
• α: 90°
• β: 111.783 ± 0.001°
• γ: 90°
• Cell volume: 2619.33 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No