Information card for entry 1512600

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: n1c2c3ccccc3Cc2c(c2c1ccc(c2)C(=O)OC)c1ccccc1
• Title of publication: Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.
• Authors of publication: Chen, Ming; Sun, Ning; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5574 - 5577
• a: 9.087 ± 0.001 Å
• b: 9.8368 ± 0.001 Å
• c: 19.8075 ± 0.0019 Å
• α: 90°
• β: 92.304 ± 0.002°
• γ: 90°
• Cell volume: 1769.1 ± 0.3 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: 0.0651
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No