Information card for entry 1542480

Structure parameters

• Chemical name: 1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole
• Formula: C15 H13 N2 P
• Calculated formula: C15 H13 N2 P
• SMILES: P1=C(N(N=C1c1ccccc1)C)c1ccccc1
• Title of publication: 1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-diazaphosphole
• Authors of publication: Duan, Lian; Ma, Fengle; Zheng, Wenjun
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160083
• a: 10.2774 ± 0.0007 Å
• b: 7.4256 ± 0.0005 Å
• c: 17.4094 ± 0.0011 Å
• α: 90°
• β: 92.472 ± 0.006°
• γ: 90°
• Cell volume: 1327.38 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes