Information card for entry 2212947

Structure parameters

• Chemical name: Benzyl N-benzyl-N-(2-formylphenyl)carbamate‒benzyl N-benzyl-N-(2-carboxyphenyl)carbamate [0.332(4)/0.668(4)]
• Formula: C22 H19 N O3.67
• Calculated formula: C22 H19 N O3.668
• Title of publication: Benzyl <i>N</i>-benzyl-<i>N</i>-(2-formylphenyl)carbamate‒benzyl <i>N</i>-benzyl-<i>N</i>-(2-carboxyphenyl)carbamate [0.332(4)/0.668(4)]
• Authors of publication: Walji, Dhiran V. B.; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1575 - o1576
• a: 10.1185 ± 0.0004 Å
• b: 11.1077 ± 0.0004 Å
• c: 16.4915 ± 0.0007 Å
• α: 90°
• β: 105.502 ± 0.002°
• γ: 90°
• Cell volume: 1786.1 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes