Information card for entry 7246396

Structure parameters

• Formula: C25 H20 Br2 N2 O2
• Calculated formula: C25 H20 Br2 N2 O2
• Title of publication: An investigation of the allylation cascade reactions of substituted indigos.
• Authors of publication: Perry, Matthew J.; Willis, Anthony C.; Bremner, John B.; Keller, Paul A.
• Journal of publication: RSC advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 4865 - 4873
• a: 9.36746 ± 0.00004 Å
• b: 18.28656 ± 0.00009 Å
• c: 25.0624 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4293.15 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for all reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0299
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No