Information card for entry 1512602

Structure parameters

• Formula: C26 H17 N
• Calculated formula: C26 H17 N
• SMILES: n1c2c3ccccc3Cc2c(c2c1c1c(cc2)cccc1)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: 11.9303 ± 0.0015 Å
• b: 14.2709 ± 0.0019 Å
• c: 11.7163 ± 0.0016 Å
• α: 90°
• β: 116.091 ± 0.003°
• γ: 90°
• Cell volume: 1791.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No