Crystallography Open Database

Information card for entry 4109641

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Coordinates	4109641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 B2 Cu2 F8 N8 O8
Calculated formula	C40 H44 B2 Cu2 F8 N8 O8
Title of publication	Self-Sorting Chiral Subcomponent Rearrangement During Crystallization
Authors of publication	Marie Hutin; Christopher J. Cramer; Laura Gagliardi; Abdul Rehaman Moughal Shahi; Gérald Bernardinelli; Radovan Cerny; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8774 - 8780
a	19.4766 ± 0.001 Å
b	11.8014 ± 0.0005 Å
c	9.9226 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2280.7 ± 0.2 Å³
Cell temperature	200 K
Number of distinct elements	7
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.84
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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