Information card for entry 4313598

Structure parameters

• Formula: C27 H24 Br Cl2 O2 P
• Calculated formula: C27 H22 Br Cl2 O2 P
• Title of publication: Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1
• Authors of publication: A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3285 - 3292
• a: 9.9695 ± 0.0003 Å
• b: 11.0013 ± 0.0004 Å
• c: 13.2255 ± 0.0006 Å
• α: 75.8623 ± 0.0012°
• β: 80.083 ± 0.0013°
• γ: 72.456 ± 0.002°
• Cell volume: 1333.53 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No