Crystallography Open Database

Information card for entry 4132364

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Coordinates	4132364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Br O7
Calculated formula	C31 H31 Br O7
Title of publication	A Concise Approach to Anthraquinone-Xanthone Heterodimers.
Authors of publication	Holmbo, Stephen D.; Pronin, Sergey V.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5065 - 5068
a	10.3318 ± 0.0009 Å
b	10.4224 ± 0.0009 Å
c	13.6723 ± 0.0012 Å
α	78.6657 ± 0.0011°
β	75.4327 ± 0.001°
γ	75.5399 ± 0.0011°
Cell volume	1365.7 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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 all reflections	0.0361
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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