Information card for entry 4079208

Structure parameters

• Common name: 7a
• Chemical name: 3-ethoxy-1,5-diphenyl-3H-benzo[c]azepine
• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• SMILES: O(C1N=C(c2c(C(=C1)c1ccccc1)cccc2)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: 10.758 ± 0.001 Å
• b: 13.473 ± 0.002 Å
• c: 13.518 ± 0.002 Å
• α: 90°
• β: 102.87 ± 0.01°
• γ: 90°
• Cell volume: 1910.1 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No