Information card for entry 2201464

Structure parameters

• Formula: C11 H13 N3 O2
• Calculated formula: C11 H13 N3 O2
• SMILES: O=N(=O)c1ccc(N/N=C2CCCC\2)cc1
• Title of publication: Cyclopentanone 4-nitrophenylhydrazone
• Authors of publication: Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1218 - o1219
• a: 21.372 ± 0.003 Å
• b: 14.705 ± 0.004 Å
• c: 7.211 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2266.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1762
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes