Information card for entry 7127808

Structure parameters

• Formula: C30 H19 Br N2 O3
• Calculated formula: C30 H19 Br N2 O3
• 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: 8.3291 ± 0.0007 Å
• b: 9.2178 ± 0.0007 Å
• c: 16.6899 ± 0.0015 Å
• α: 79.558 ± 0.002°
• β: 87.777 ± 0.003°
• γ: 74.713 ± 0.002°
• Cell volume: 1215.52 ± 0.18 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: 0.045
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No