Information card for entry 2105474

Structure parameters

• Formula: C32 H40 N4 O3 P2
• Calculated formula: C32 H40 N4 O3 P2
• SMILES: C(c1ccccc1)N(C)P(=O)(N(C)Cc1ccccc1)OP(=O)(N(Cc1ccccc1)C)N(Cc1ccccc1)C
• Title of publication: Hirshfeld surface analysis of new phosphoramidates
• Authors of publication: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 260 - 270
• a: 19.05 ± 0.003 Å
• b: 8.5308 ± 0.0012 Å
• c: 18.821 ± 0.003 Å
• α: 90°
• β: 97.341 ± 0.006°
• γ: 90°
• Cell volume: 3033.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No