Information card for entry 7153910

Structure parameters

• Formula: C41 H36 Br2 Cl2 N8 O4
• Calculated formula: C41 H36 Br2 Cl2 N8 O4
• Title of publication: A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.
• Authors of publication: Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 6598 - 6609
• a: 19.6382 ± 0.0007 Å
• b: 10.7068 ± 0.0003 Å
• c: 21.8503 ± 0.0009 Å
• α: 90°
• β: 119.245 ± 0.005°
• γ: 90°
• Cell volume: 4008.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No