Crystallography Open Database

Information card for entry 1504732

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Structure parameters

Formula	C44 H38 Br4 O8
Calculated formula	C44 H38 Br4 O8
SMILES	Brc1ccc(COC(=O)c2oc(OCc3ccc(Br)cc3)c(c2C(=O)OCc2ccc(Br)cc2)[C@]2([C@@H](C2)C2CCCCC2)C(=O)OCc2ccc(Br)cc2)cc1.Brc1ccc(COC(=O)c2oc(OCc3ccc(Br)cc3)c(c2C(=O)OCc2ccc(Br)cc2)[C@@]2([C@H](C2)C2CCCCC2)C(=O)OCc2ccc(Br)cc2)cc1
Title of publication	Rhodium-catalyzed highly enantio- and diastereoselective cotrimerization of alkenes and dialkyl acetylenedicarboxylates leading to furylcyclopropanes.
Authors of publication	Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2825 - 2828
a	9.712 ± 0.0012 Å
b	13.6425 ± 0.0016 Å
c	16.0491 ± 0.0018 Å
α	100.901 ± 0.008°
β	93.183 ± 0.008°
γ	95.034 ± 0.009°
Cell volume	2074.4 ± 0.4 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0863
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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