Crystallography Open Database

Information card for entry 4022546

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Structure parameters

Formula	C35 H30 Cl2 O8
Calculated formula	C35 H30 Cl2 O8
SMILES	Oc1c(cc(OC)c2c1c1c(c(OC)c2)ccc2c1c1c(cc2)c(OC)cc2c1c(O)c(cc2OC)C(=O)C)C(=O)C.C(Cl)Cl
Title of publication	Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions
Authors of publication	Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	8539 - 8544
a	10.8059 ± 0.0019 Å
b	13.875 ± 0.003 Å
c	19.881 ± 0.004 Å
α	90°
β	97.165 ± 0.004°
γ	90°
Cell volume	2957.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2709
Weighted residual factors for all reflections included in the refinement	0.3134
Goodness-of-fit parameter for all reflections included in the refinement	1.789
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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