Information card for entry 1542692

Structure parameters

• Formula: C32 H31 N O5
• Calculated formula: C32 H31 N O5
• SMILES: O=C1N(C)c2ccccc2C2=C(c3ccccc3CC12CC(C(=O)OCC)C(=O)OCC)c1ccccc1
• Title of publication: Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.
• Authors of publication: Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 600 - 603
• a: 10.3073 ± 0.0005 Å
• b: 11.8581 ± 0.0005 Å
• c: 21.8138 ± 0.0008 Å
• α: 90°
• β: 94.816 ± 0.004°
• γ: 90°
• Cell volume: 2656.8 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No