Information card for entry 4309593

Structure parameters

• Common name: phosphonite
• Formula: C34 H43 O3 P
• Calculated formula: C34 H43 O3 P
• Title of publication: Solvent-Dependent Crystallization of 1-Hydro-6-carbaphosphatrane and Its Tautomer
• Authors of publication: Shin-ya Nakafuji; Junji Kobayashi; Takayuki Kawashima; Michael W. Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6500 - 6502
• a: 11.74 ± 0.016 Å
• b: 10.492 ± 0.014 Å
• c: 23.8 ± 0.03 Å
• α: 90 ± 0.007°
• β: 90.617 ± 0.007°
• γ: 90 ± 0.007°
• Cell volume: 2931 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1246
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No