Information card for entry 2206282

Structure parameters

• Chemical name: 1'-tert-Butyl-2'-(2,2-dimethyl-4-oxochroman-6-carbonyl)benzohydrazide
• Formula: C23 H26 N2 O4
• Calculated formula: C23 H26 N2 O4
• SMILES: CC1(C)CC(=O)c2c(ccc(c2)C(=O)NN(C(C)(C)C)C(=O)c2ccccc2)O1
• Title of publication: 1'-<i>tert</i>-Butyl-2'-(2,2-dimethyl-4-oxochroman-6-carbonyl)benzohydrazide
• Authors of publication: Pei-Liang Zhao; Wei Huang; Guang-Fu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2139 - o2141
• a: 9.5123 ± 0.0012 Å
• b: 9.2752 ± 0.0011 Å
• c: 24.424 ± 0.003 Å
• α: 90°
• β: 95.967 ± 0.002°
• γ: 90°
• Cell volume: 2143.2 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes