Crystallography Open Database

Information card for entry 2101302

Preview

Coordinates	2101302.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H9 Br O3
Calculated formula	C9 H9 Br O3
SMILES	OC(=O)CC(c1cccc(c1)Br)O
Title of publication	Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds
Authors of publication	Larsen, S.; Marthi, K.
Journal of publication	Acta Crystallographica Section B
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	338 - 346
a	15.498 ± 0.003 Å
b	5.7513 ± 0.0012 Å
c	11.298 ± 0.002 Å
α	90°
β	111.28 ± 0.014°
γ	90°
Cell volume	938.4 ± 0.3 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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