Information card for entry 7128172

Structure parameters

• Chemical name: ethyl 10-phenylacenaphtho[1,2-c]pyridine-7-carboxylate
• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: O(C(=O)c1ncc(c2c1c1c3c2cccc3ccc1)c1ccccc1)CC
• Title of publication: Transition metal-free approach to azafluoranthene scaffolds by aldol condensation/[1+2+3] annulation tandem reaction of isocyanoacetates with 8-(alkynyl)-1-naphthaldehydes.
• Authors of publication: Dong, Penghui; Majeed, Kashif; Wang, Lingna; Guo, Zijian; Zhou, Fengtao; Zhang, Qiuyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 39
• Pages of publication: 4855 - 4858
• a: 11.9988 ± 0.0003 Å
• b: 19.1984 ± 0.0005 Å
• c: 7.6672 ± 0.0002 Å
• α: 90°
• β: 106.467 ± 0.002°
• γ: 90°
• Cell volume: 1693.76 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0586
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No