Information card for entry 7229228

Structure parameters

• Formula: C25 H15 Br2 N O2
• Calculated formula: C25 H15 Br2 N O2
• Title of publication: Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines
• Authors of publication: Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 72
• Pages of publication: 45269
• a: 9.2108 ± 0.0006 Å
• b: 11.4244 ± 0.0006 Å
• c: 11.4731 ± 0.0007 Å
• α: 68.214 ± 0.002°
• β: 87.658 ± 0.002°
• γ: 69.9597 ± 0.0019°
• Cell volume: 1048.01 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No