Information card for entry 7152935

Structure parameters

• Formula: C26 H21 N O2
• Calculated formula: C26 H21 N O2
• SMILES: c1ccc(n2cc(c(c2)CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
• Title of publication: Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.
• Authors of publication: Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 3494 - 3509
• a: 17.313 ± 0.003 Å
• b: 12.727 ± 0.002 Å
• c: 8.9581 ± 0.0015 Å
• α: 90°
• β: 93.106 ± 0.008°
• γ: 90°
• Cell volume: 1971 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No