Information card for entry 1512601

Structure parameters

• Formula: C25 H21 N O3
• Calculated formula: C25 H21 N O3
• SMILES: n1c2c3ccccc3Cc2c(c2c1cc(OC)c(OC)c2OC)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: 8.0687 ± 0.0012 Å
• b: 11.5041 ± 0.0017 Å
• c: 12.1379 ± 0.0017 Å
• α: 113.129 ± 0.003°
• β: 102.038 ± 0.003°
• γ: 98.322 ± 0.003°
• Cell volume: 980.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0622
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No