Information card for entry 7127803

Structure parameters

• Formula: C62 H44 Br2 N4 O5
• Calculated formula: C62 H44 Br2 N4 O5
• Title of publication: Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.
• Authors of publication: Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 16
• Pages of publication: 2045 - 2048
• a: 11.994 ± 0.004 Å
• b: 12.841 ± 0.005 Å
• c: 16.952 ± 0.006 Å
• α: 96.769 ± 0.008°
• β: 100.451 ± 0.008°
• γ: 97.043 ± 0.008°
• Cell volume: 2521.8 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2037
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No