Information card for entry 4128943

Structure parameters

• Formula: C24 H22 Br N O2
• Calculated formula: C24 H22 Br N O2
• Title of publication: Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.
• Authors of publication: Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4536 - 4540
• a: 8.5392 ± 0.0011 Å
• b: 8.8043 ± 0.0011 Å
• c: 15.5739 ± 0.0019 Å
• α: 74.124 ± 0.003°
• β: 89.573 ± 0.004°
• γ: 65.84 ± 0.004°
• Cell volume: 1020.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No