Crystallography Open Database

Information card for entry 2219419

2219418 << 2219419 >> 2219420

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Structure parameters

Chemical name	Bis(3-bromomethyl-2-methoxy-1-naphthyl)methane
Formula	C25 H22 Br2 O2
Calculated formula	C25 H22 Br2 O2
SMILES	BrCc1c(OC)c(c2c(c1)cccc2)Cc1c(OC)c(cc2ccccc12)CBr
Title of publication	Bis(3-bromomethyl-2-methoxy-1-naphthyl)methane
Authors of publication	Luo, Jie-Wei; Zhou, Li; He, Rui; Wang, Gui-Yu; Qin, Da-Bin
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	o1861
a	10.6812 ± 0.0003 Å
b	11.1429 ± 0.0004 Å
c	18.4311 ± 0.0006 Å
α	99.327 ± 0.001°
β	98.326 ± 0.001°
γ	96.296 ± 0.001°
Cell volume	2121.84 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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