Information card for entry 4020532

Structure parameters

• Formula: C23 H23 N O7
• Calculated formula: C23 H23 N O7
• SMILES: O(c1ccc(C(O)(c2ccc(OC)cc2OC)c2ccc(N(=O)=O)cc2)c(OC)c1)C
• Title of publication: A Convenient Preparation of Xanthene Dyes
• Authors of publication: Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6907 - 6912
• a: 8.314 ± 0.002 Å
• b: 18.175 ± 0.005 Å
• c: 14.129 ± 0.004 Å
• α: 90°
• β: 91.634 ± 0.011°
• γ: 90°
• Cell volume: 2134.1 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No