Information card for entry 2005644

Structure parameters

• Chemical name: 4-^t^butyl-1-cyclohexyl-2-diisopropylamino-6-(4-methoxyphenyl)-2-[4-methoxy- 2,3,4-tris(methoxycarbonyl)-5-oxo-2-cyclopentenyliden]-1,2-dihydro-1,3,2- diazaphosphinine.
• Formula: C38 H54 N3 O9 P
• Calculated formula: C38 H54 N3 O9 P
• Title of publication: C~38~H~54~N~3~O~9~P, a New Compound in Diazadihydrophosphinine Chemistry
• Authors of publication: García-Granda, S.; Santiago-García, R.; Bieger, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2857 - 2859
• a: 9.846 ± 0.009 Å
• b: 38.204 ± 0.009 Å
• c: 11.421 ± 0.009 Å
• α: 90°
• β: 113.18 ± 0.07°
• γ: 90°
• Cell volume: 3949 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3048
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.2329
• Weighted residual factors for significantly intense reflections: 0.1269
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No