Information card for entry 1511863

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O1c2c3ccccc3nc(c2CC1)c1ccc(OC)cc1
• Title of publication: Ru-catalyzed synthesis of dihydrofuroquinolines from azido-cyclopropyl ketones.
• Authors of publication: Yang, Weijun; Xu, Lijun; Chen, Zhengkai; Zhang, Lili; Miao, Maozhong; Ren, Hongjun
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1282 - 1285
• a: 12.8977 ± 0.0008 Å
• b: 7.2069 ± 0.0005 Å
• c: 15.0389 ± 0.0009 Å
• α: 90°
• β: 100.506 ± 0.006°
• γ: 90°
• Cell volume: 1374.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No