Information card for entry 7160763

Structure parameters

• Formula: C30 H24 Br Cl2 N O4 S
• Calculated formula: C30 H24 Br Cl2 N O4 S
• Title of publication: Donor acceptor phenanthrenes and benzoquinolines: synthesis by C-H activation and their photophysical properties.
• Authors of publication: Khandare, Sopan Pralhad; Mandal, Arnab; Patra, Abhijit; Bates, Roderick W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 9424 - 9429
• a: 11.2175 ± 0.0005 Å
• b: 15.8846 ± 0.0008 Å
• c: 16.0861 ± 0.0008 Å
• α: 90°
• β: 105.345 ± 0.001°
• γ: 90°
• Cell volume: 2764.1 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No