Information card for entry 2217846

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(4-bromobenzoyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Formula: C23 H25 Br N3 O2 P
• Calculated formula: C23 H25 Br N3 O2 P
• SMILES: Brc1ccc(cc1)C(=O)NP(=O)(N(C)Cc1ccccc1)N(C)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(4-bromobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Authors of publication: Dehghanpour, Saeed; Welter, Richard; Barry, Aliou Hamady; Tabasi, Farzaneh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o633
• a: 9.014 ± 0.0004 Å
• b: 13.269 ± 0.0005 Å
• c: 19.377 ± 0.001 Å
• α: 90°
• β: 94.15 ± 0.0014°
• γ: 90°
• Cell volume: 2311.54 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1355
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes