Information card for entry 7117828

Structure parameters

• Formula: C27 H31 Br2 F6 I3 N6 O P
• Calculated formula: C27 H31 Br2 F6 I3 N6 O P
• Title of publication: Halogen bonding assisted selective removal of bromide
• Authors of publication: Sourav Chakraborty; Ranjan Dutta; Pradyut Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14793
• a: 10.9697 ± 0.0014 Å
• b: 14.1499 ± 0.0018 Å
• c: 16.42 ± 0.002 Å
• α: 93.11 ± 0.003°
• β: 108.455 ± 0.003°
• γ: 112.057 ± 0.003°
• Cell volume: 2196.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.609
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No