Crystallography Open Database

Information card for entry 4022563

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Coordinates	4022563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H75 N8 O11
Calculated formula	C76 H75 N8 O11
Title of publication	Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes
Authors of publication	Bao-Qing Ma; Yuegang Zhang; Philip Coppens
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	9467 - 9472
a	11.1489 ± 0.0013 Å
b	22.831 ± 0.003 Å
c	13.336 ± 0.0013 Å
α	90°
β	103.368 ± 0.003°
γ	90°
Cell volume	3302.6 ± 0.6 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1759
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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