Crystallography Open Database

Information card for entry 4020533

4020532 << 4020533 >> 4020534

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Structure parameters

Formula	C14 H19 B O4
Calculated formula	C14 H19 B O4
SMILES	O1C(C(OB1c1ccc(cc1)C(=O)OC)(C)C)(C)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	24.683 ± 0.003 Å
b	6.5797 ± 0.001 Å
c	18.174 ± 0.002 Å
α	90°
β	109.077 ± 0.008°
γ	90°
Cell volume	2789.5 ± 0.6 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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