Information card for entry 7238958

Structure parameters

• Formula: C25 H21 Br2 Cl N2 O2
• Calculated formula: C25 H21 Br2 Cl N2 O2
• Title of publication: Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles
• Authors of publication: Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 5056
• a: 11.9309 ± 0.0011 Å
• b: 14.0473 ± 0.0013 Å
• c: 15.0113 ± 0.0015 Å
• α: 100.801 ± 0.002°
• β: 90.905 ± 0.001°
• γ: 97.856 ± 0.001°
• Cell volume: 2445.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2959
• Residual factor for significantly intense reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.3698
• Weighted residual factors for all reflections included in the refinement: 0.4226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No