Information card for entry 4079209

Structure parameters

• Common name: 8a
• Chemical name: 5-ethoxy-2,2,3-triphenyl-2H-pyrrole
• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• SMILES: O(C1=NC(c2ccccc2)(c2ccccc2)C(=C1)c1ccccc1)CC
• Title of publication: Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes
• Authors of publication: González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6572
• a: 13.053 ± 0.002 Å
• b: 9.954 ± 0.001 Å
• c: 18.354 ± 0.001 Å
• α: 90°
• β: 129.286 ± 0.01°
• γ: 90°
• Cell volume: 1845.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No