Crystallography Open Database

Information card for entry 8107311

Preview

Coordinates	8107311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Br O3
Calculated formula	C9 H9 Br O3
Title of publication	The crystal structure of 4-(2-bromoethoxy)-2-hydroxybenzaldehyde, C9H9BrO3
Authors of publication	Gao, Dongmei; Zuo, Zhenyu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	1125 - 1126
a	10.8914 ± 0.0004 Å
b	4.6335 ± 0.0002 Å
c	18.4554 ± 0.0008 Å
α	90°
β	97.278 ± 0.002°
γ	90°
Cell volume	923.85 ± 0.07 Å³
Cell temperature	225 ± 2 K
Ambient diffraction temperature	224.97 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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