Information card for entry 7119407

Structure parameters

• Formula: C24 H18 N2 O
• Calculated formula: C24 H18 N2 O
• SMILES: COc1ccc(cc1)c1cc(c2c(n1)[nH]c1ccccc21)c1ccccc1
• 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: 9.48 ± 0.0012 Å
• b: 13.2295 ± 0.0016 Å
• c: 15.0067 ± 0.0019 Å
• α: 88.685 ± 0.004°
• β: 73.346 ± 0.004°
• γ: 86.478 ± 0.004°
• Cell volume: 1799.7 ± 0.4 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: 0.053
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No