Information card for entry 2204644

Structure parameters

• Chemical name: N'-tert-Butyl-N'-(3,5-dimethylbenzoyl)-N-(4-carboxyphenoxy)oxalyl- N-(4-ethylbenzoyl)hydrazine
• Formula: C31 H32 N2 O7
• Calculated formula: C31 H32 N2 O7
• SMILES: N(N(C(=O)c1ccc(cc1)CC)C(=O)C(=O)Oc1ccc(cc1)C(=O)O)(C(=O)c1cc(cc(c1)C)C)C(C)(C)C
• Title of publication: <i>N</i>'-<i>tert</i>-Butyl-<i>N</i>'-(3,5-dimethylbenzoyl)-<i>N</i>-(4-carboxyphenoxy)oxalyl-<i>N</i>-(4-ethylbenzoyl)hydrazine
• Authors of publication: Chun-Hui Mao; Hai-Bin Song; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2522 - o2524
• a: 9.971 ± 0.004 Å
• b: 13.239 ± 0.005 Å
• c: 13.649 ± 0.005 Å
• α: 111.141 ± 0.006°
• β: 103.553 ± 0.006°
• γ: 107.231 ± 0.006°
• Cell volume: 1482.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1511
• 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