Information card for entry 4132233

Structure parameters

• Formula: C30 H22 N2 O9
• Calculated formula: C30 H22 N2 O9
• SMILES: O1C(=O)c2ccc(cc2C21c1ccc(O)cc1Oc1cc(O)ccc21)C1=N(=NOC1=O)c1ccc(OC)cc1.OC
• Title of publication: Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.
• Authors of publication: Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7390 - 7394
• a: 10.0804 ± 0.0004 Å
• b: 20.9776 ± 0.0008 Å
• c: 12.4916 ± 0.0004 Å
• α: 90°
• β: 98.816 ± 0.003°
• γ: 90°
• Cell volume: 2610.3 ± 0.17 ų
• Cell temperature: 143.1 ± 0.2 K
• Ambient diffraction temperature: 143.1 ± 0.2 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: 0.0776
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No