Information card for entry 7240679

Structure parameters

• Formula: C29 H21 Cl N2 O
• Calculated formula: C29 H21 Cl N2 O
• SMILES: Clc1ccc2c(C(=C(c3ccccc3)C32Nc2c(N(C3=O)C)cccc2)c2ccccc2)c1
• Title of publication: Rh(iii)-catalyzed spiroannulation of 3-arylquinoxalin-2(1H)-ones with alkynes: practical access to spiroquinoxalinones
• Authors of publication: Zhang, Yuanfei; Huang, Ting; Li, Xinghua; Zhang, Min; Song, Ying; Huang, Kelin; Su, Weiping
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 37
• Pages of publication: 22216 - 22221
• a: 23.099 ± 0.007 Å
• b: 10.57 ± 0.003 Å
• c: 9.121 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No