Crystallography Open Database

Information card for entry 1564853

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Coordinates	1564853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 Br O2
Calculated formula	C9 H11 Br O2
SMILES	BrCc1c(OC)cccc1OC
Title of publication	2,6-Dimethoxybenzyl Bromide
Authors of publication	Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z.
Journal of publication	Molbank
Year of publication	2021
Journal volume	2021
Journal issue	3
Pages of publication	M1277
a	13.297 ± 0.008 Å
b	5.033 ± 0.003 Å
c	13.789 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	922.8 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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