Information card for entry 4085710

Structure parameters

• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: CC1(c2ccccc2)C=C(c2ccccc2)c2ccc(cc2N1)OC
• Title of publication: [Cp*RhCl2]2-Catalyzed Alkyne Hydroamination to 1,2-Dihydroquinolines
• Authors of publication: Kumaran, Elumalai; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1779
• a: 5.9791 ± 0.0019 Å
• b: 32.635 ± 0.01 Å
• c: 8.845 ± 0.003 Å
• α: 90°
• β: 95.044 ± 0.01°
• γ: 90°
• Cell volume: 1719.2 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No