Information card for entry 2210537

Structure parameters

• Chemical name: Ethyl N,N'-bis(3,4,5-trimethoxyphenyl)phosphorodiamidate
• Formula: C20 H29 N2 O8 P
• Calculated formula: C20 H29 N2 O8 P
• SMILES: P(=O)(OCC)(Nc1cc(OC)c(OC)c(OC)c1)Nc1cc(OC)c(OC)c(OC)c1
• Title of publication: Ethyl <i>N</i>,<i>N</i>'-bis(3,4,5-trimethoxyphenyl)phosphorodiamidate
• Authors of publication: Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4233 - o4235
• a: 10.0994 ± 0.0005 Å
• b: 10.1542 ± 0.0005 Å
• c: 11.98 ± 0.0009 Å
• α: 93.596 ± 0.003°
• β: 98.968 ± 0.003°
• γ: 117.066 ± 0.002°
• Cell volume: 1068.1 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes