Crystallography Open Database

Information card for entry 4112264

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Structure parameters

Formula	C20 H20 Br4 O8
Calculated formula	C20 H20 Br4 O8
SMILES	C1(=C(C(=O)OCCBr)C(=O)OCCBr)C=CC(=C(C(=O)OCCBr)C(=O)OCCBr)C=C1
Title of publication	Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes
Authors of publication	Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2035 - 2041
a	6.9884 ± 0.0008 Å
b	7.7551 ± 0.0006 Å
c	12.177 ± 0.001 Å
α	102.295 ± 0.003°
β	97.575 ± 0.003°
γ	106.277 ± 0.006°
Cell volume	605.92 ± 0.1 Å³
Cell temperature	193.2 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 significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.3566
Goodness-of-fit parameter for all reflections included in the refinement	1.754
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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