Information card for entry 2104390

Structure parameters

• Formula: C90 H150 N24 O24 P6
• Calculated formula: C90 H150 N24 O24 P6
• Title of publication: Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: <i>N</i>-(3-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(<i>tert</i>-butyl)phosphoric triamide
• Authors of publication: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Della Védova, Carlos O.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: 502 - 508
• a: 13.1528 ± 0.0002 Å
• b: 13.7179 ± 0.0002 Å
• c: 16.5876 ± 0.0002 Å
• α: 87.8019 ± 0.0012°
• β: 70.8182 ± 0.0013°
• γ: 83.8446 ± 0.0014°
• Cell volume: 2810.41 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No