Information card for entry 4024699

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: O=C1c2ccccc2N(C(=O)OCC)[C@H]([C@@H]1c1ccccc1)c1ccccc1.O=C1c2ccccc2N(C(=O)OCC)[C@@H]([C@H]1c1ccccc1)c1ccccc1
• Title of publication: Synthesis of 2,3-Dihydroquinolin-4(1H)-ones through Catalytic Metathesis of o-Alkynylanilines and Aldehydes
• Authors of publication: Akio Saito; Jun Kasai; Yu Odaira; Haruhiko Fukaya; Yuji Hanzawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5644 - 5647
• a: 8.654 ± 0.003 Å
• b: 9.142 ± 0.003 Å
• c: 13.383 ± 0.004 Å
• α: 89.696 ± 0.003°
• β: 71.752 ± 0.003°
• γ: 65.373 ± 0.003°
• Cell volume: 904.4 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0555
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No