Information card for entry 7127023

Structure parameters

• Formula: C25 H21 N O2
• Calculated formula: C25 H21 N O2
• SMILES: O=C(OC)c1n(c(cc1c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Copper-catalyzed carbene insertion and ester migration for the synthesis of polysubstituted pyrroles.
• Authors of publication: Li, Mingrui; Sun, Yiming; Xie, Yuxing; Yu, Yang; Huang, Fei; Huang, He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11050 - 11053
• a: 7.8574 ± 0.0003 Å
• b: 10.1476 ± 0.0003 Å
• c: 13.2472 ± 0.0004 Å
• α: 73.398 ± 0.001°
• β: 88.834 ± 0.001°
• γ: 80.053 ± 0.001°
• Cell volume: 996.53 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No