Crystallography Open Database

Information card for entry 4020534

4020533 << 4020534 >> 4020535

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Structure parameters

Formula	C31 H32 O6
Calculated formula	C31 H32 O6
SMILES	O(c1ccc(C(c2ccc(OC)cc2OC)c2ccc(cc2)c2ccc(OC)cc2OC)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	11.72 ± 0.004 Å
b	10.93 ± 0.004 Å
c	19.726 ± 0.01 Å
α	90°
β	90.018 ± 0.013°
γ	90°
Cell volume	2526.9 ± 1.8 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	3
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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