Information card for entry 7227947

Structure parameters

• Formula: C30 H38 N4 O6 P2
• Calculated formula: C30 H38 N4 O6 P2
• Title of publication: Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)
• Authors of publication: Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.4656 ± 0.0004 Å
• b: 13.8598 ± 0.0005 Å
• c: 11.2698 ± 0.0004 Å
• α: 90°
• β: 110.768 ± 0.001°
• γ: 90°
• Cell volume: 1528.48 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No