Information card for entry 4327387

Structure parameters

• Formula: C45 H46 N O6 P
• Calculated formula: C45 H46 N O6 P
• Title of publication: Phosphorus-Nitrogen Donor Interaction Leading to Atrane Formation in Phosphate and Oxyphosphorane Compositions. Implications for Phosphoryl Transfer Enzymes1
• Authors of publication: Natalya V. Timosheva; A. Chandrasekaran; Robert R. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7403 - 7411
• a: 10.7003 ± 0.0001 Å
• b: 13.1917 ± 0.0001 Å
• c: 14.5801 ± 0.0002 Å
• α: 85.569 ± 0.0005°
• β: 84.1928 ± 0.0005°
• γ: 71.5345 ± 0.0005°
• Cell volume: 1939.85 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0736
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No