Information card for entry 4020525

Structure parameters

• Formula: C21 H22 Cl2 O6
• Calculated formula: C20 H14 Cl2 O6
• SMILES: Clc1cc(C(c2cc(Cl)c(O)cc2O)c2ccccc2)c(O)cc1O.O.OC
• 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: 9.499 ± 0.002 Å
• b: 10.891 ± 0.002 Å
• c: 11.067 ± 0.002 Å
• α: 109.873 ± 0.006°
• β: 112.697 ± 0.007°
• γ: 100.841 ± 0.012°
• Cell volume: 923.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No