Information card for entry 2222682

Structure parameters

• Chemical name: <i>N</i>'-<i>tert</i>-Butyl-<i>N</i>'-(3,5-dimethylbenzoyl)-2,2-dimethyl-4- oxochroman-6-carbohydrazide
• Formula: C25 H30 N2 O4
• Calculated formula: C25 H30 N2 O4
• SMILES: Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1)C(=O)CC(O2)(C)C
• Title of publication: <i>N</i>'-<i>tert</i>-Butyl-<i>N</i>'-(3,5-dimethylbenzoyl)-2,2-dimethyl-4-oxochroman-6-carbohydrazide
• Authors of publication: Zhou, Zhongzhen; You, Wenwei; Tang, Zhongkun; Zhao, Peiliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2015
• a: 14.126 ± 0.0012 Å
• b: 10.6964 ± 0.0009 Å
• c: 15.437 ± 0.0013 Å
• α: 90°
• β: 96.426 ± 0.002°
• γ: 90°
• Cell volume: 2317.8 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes