Information card for entry 2013178

Structure parameters

• Chemical name: diphenyl [2-methyl-1-(3-phenylthioureido)butyl]phosphonate
• Formula: C24 H27 N2 O3 P S
• Calculated formula: C24 H27 N2 O3 P S
• Title of publication: Two derivatives of (<i>N</i>-phenylthioureidoalkyl)phosphonates
• Authors of publication: Chęcińska, Lilianna; Sieroń, Lesław; Bukowska-Strzyżewska, Maria; Kudzin, Zbigniew H.; Fábián, László
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o46 - o50
• a: 9.9402 ± 0.0004 Å
• b: 16.7505 ± 0.0006 Å
• c: 14.1979 ± 0.0005 Å
• α: 90°
• β: 91.973 ± 0.003°
• γ: 90°
• Cell volume: 2362.6 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes