Crystallography Open Database

Information card for entry 7242615

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Coordinates	7242615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Br2 O2
Calculated formula	C9 H10 Br2 O2
Title of publication	Catalytic enantioselective bromohydroxylation of cinnamyl alcohols
Authors of publication	Li, Jing; Shi, Yian
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	13040 - 13046
a	5.9149 ± 0.0002 Å
b	8.0004 ± 0.0002 Å
c	11.2008 ± 0.0003 Å
α	90°
β	101.679 ± 0.003°
γ	90°
Cell volume	519.07 ± 0.03 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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