Information card for entry 4079207

Structure parameters

• Common name: 6a
• Chemical name: 3-ethoxy-2,2,5-triphenyl-2H-pyrrole
• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• SMILES: O(C1=CC(=NC1(c1ccccc1)c1ccccc1)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: 8.744 ± 0.004 Å
• b: 14.245 ± 0.01 Å
• c: 14.976 ± 0.01 Å
• α: 90°
• β: 93.3 ± 0.04°
• γ: 90°
• Cell volume: 1862 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No