Crystallography Open Database

Information card for entry 4105467

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Structure parameters

Formula	C40 H33 Br
Calculated formula	C40 H33 Br
SMILES	Brc1c2c(cc3c1C1(CC3(C)C)c3ccccc3c3ccccc13)C(CC12c2ccccc2c2ccccc12)(C)C
Title of publication	Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the Size-Controllable Bulky "Rind" Ligands
Authors of publication	Mikinao Ito; Daisuke Hashizume; Takeo Fukunaga; Tsukasa Matsuo; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	18024 - 18025
a	10.601 ± 0.007 Å
b	11.556 ± 0.008 Å
c	13.229 ± 0.009 Å
α	102.846 ± 0.009°
β	104.607 ± 0.01°
γ	97.276 ± 0.005°
Cell volume	1500 ± 1.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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