Crystallography Open Database

Information card for entry 4020527

4020526 << 4020527 >> 4020528

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Structure parameters

Formula	C23 H22 Cl2 O5
Calculated formula	C23 H22 Cl2 O5
SMILES	Clc1cc(C(O)(c2cc(Cl)c(OC)cc2OC)c2ccccc2)c(OC)cc1OC
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	10.061 ± 0.002 Å
b	13.094 ± 0.002 Å
c	15.974 ± 0.003 Å
α	90°
β	96.235 ± 0.009°
γ	90°
Cell volume	2091.9 ± 0.7 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 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 F_obs	No

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