Crystallography Open Database

Information card for entry 2204570

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Coordinates	2204570.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	trans,trans,trans-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4- tetrahydronaphthalene
Formula	C10 H8 Br4 O2
Calculated formula	C10 H8 Br4 O2
SMILES	Br[C@@H]1[C@@H](O)c2c([C@H](O)[C@H]1Br)c(Br)ccc2Br.Br[C@H]1[C@H](O)c2c([C@@H](O)[C@@H]1Br)c(Br)ccc2Br
Title of publication	<i>trans,trans,trans</i>-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene
Authors of publication	Mehmet Akkurt; Ísmail Çelik; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı; Orhan Büyükgüngör
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2096 - o2098
a	16.8495 ± 0.0009 Å
b	12.1086 ± 0.0009 Å
c	12.357 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2521.1 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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