Information card for entry 2213074

Structure parameters

• Chemical name: N,N,N',N'-Tetrabenzyl-N''-(2-fluorobenzoyl)phosphoric diamide
• Formula: C35 H33 F N3 O2 P
• Calculated formula: C35 H33 F N3 O2 P
• SMILES: P(=O)(NC(=O)c1ccccc1F)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(2-fluorobenzoyl)phosphoric diamide
• Authors of publication: Mahmoudi, Ali; Amin, Amir Hossein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2031 - o2033
• a: 10.7637 ± 0.0005 Å
• b: 11.3489 ± 0.0005 Å
• c: 14.0195 ± 0.0006 Å
• α: 66.535 ± 0.001°
• β: 74.514 ± 0.001°
• γ: 68.849 ± 0.001°
• Cell volume: 1449.81 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes