Information card for entry 7119408

Structure parameters

• Formula: C25 H20 N2 O2
• Calculated formula: C25 H20 N2 O2
• SMILES: C(=O)(C)O/N=C(c1ccccc1)\C=C(\c1ccccc1)c1c[nH]c2ccccc12
• Title of publication: Regioselective switching approach for the synthesis of α and δ carboline derivatives.
• Authors of publication: Yang, Tang-Hao; Kuo, Chun-Wei; Kavala, Veerababurao; Konala, Ashok; Huang, Chia-Yu; Yao, Ching-Fa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1676 - 1679
• a: 8.2571 ± 0.0007 Å
• b: 16.859 ± 0.0015 Å
• c: 17.1654 ± 0.0015 Å
• α: 66.416 ± 0.005°
• β: 86.395 ± 0.005°
• γ: 89.79 ± 0.005°
• Cell volume: 2185 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1235
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2654
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No