Information card for entry 2208113

Structure parameters

• Chemical name: 2-Benzylidenehydrazino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide
• Formula: C18 H21 N2 O3 P
• Calculated formula: C18 H21 N2 O3 P
• SMILES: c1ccccc1C1C(C)(C)COP(=O)(N/N=C/c2ccccc2)O1
• Title of publication: 2-Benzylidenehydrazino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide
• Authors of publication: Chang Liu; Yan Yu; Xingyu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o536 - o537
• a: 7.5618 ± 0.0009 Å
• b: 17.683 ± 0.002 Å
• c: 14.9324 ± 0.0017 Å
• α: 90°
• β: 100.568 ± 0.002°
• γ: 90°
• Cell volume: 1962.8 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes