Crystallography Open Database

Information card for entry 2205284

2205283 << 2205284 >> 2205285

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Structure parameters

Chemical name	tetrakis[(4-bromobenzyloxy)methyl]methane
Formula	C33 H32 Br4 O4
Calculated formula	C33 H32 Br4 O4
SMILES	Brc1ccc(cc1)COCC(COCc1ccc(cc1)Br)(COCc1ccc(cc1)Br)COCc1ccc(cc1)Br
Title of publication	Pentaerythrityl tetrakis(4-bromobenzyl ether)
Authors of publication	Laliberté, Dominic; Raymond, Nathalie; Maris, Thierry; Wuest, James D.
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	o601 - o603
a	25.342 ± 0.005 Å
b	44.671 ± 0.005 Å
c	5.7889 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6553.3 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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