Crystallography Open Database

Information card for entry 7151222

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Coordinates	7151222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H42 Cl2 O6
Calculated formula	C47 H42 Cl2 O6
Title of publication	Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.
Authors of publication	Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	11
Pages of publication	2296 - 2303
a	13.5591 ± 0.0016 Å
b	9.7766 ± 0.0012 Å
c	27.715 ± 0.003 Å
α	90°
β	97.819 ± 0.002°
γ	90°
Cell volume	3639.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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