Information card for entry 7127810

Structure parameters

• Formula: C28 H23 Br N2 O3
• Calculated formula: C28 H23 Br N2 O3
• SMILES: c1(ccc(cc1)/C=C\1C(=O)c2ccccc2C21N(C(=O)C(C)(C)C)N=C(c1ccccc1)O2)Br
• 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: 9.7575 ± 0.0013 Å
• b: 10.9781 ± 0.0014 Å
• c: 12.4931 ± 0.0014 Å
• α: 70.686 ± 0.003°
• β: 73.323 ± 0.003°
• γ: 72.669 ± 0.003°
• Cell volume: 1178.9 ± 0.3 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: 0.0375
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No