Information card for entry 4079211

Structure parameters

• Common name: 9c
• Chemical name: 2-ethoxy-4-phenyl-5H-indeno[1,2-b]pyridine
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: O(CC)c1nc2c3c(cccc3)Cc2c(c1)c1ccccc1
• 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: 7.118 ± 0.001 Å
• b: 19.666 ± 0.001 Å
• c: 21.805 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3052.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No