Crystallography Open Database

Information card for entry 4106811

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Coordinates	4106811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 I1.5 N12
Calculated formula	C72 H84 I1.4296 N12
Title of publication	Molecular Doping of Porous Organic Cages
Authors of publication	Tom Hasell; Marc Schmidtmann; Andrew I. Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14920 - 14923
a	24.893 ± 0.003 Å
b	24.893 ± 0.003 Å
c	24.893 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15425 ± 3 Å³
Cell temperature	358 ± 2 K
Ambient diffraction temperature	358 ± 2 K
Number of distinct elements	4
Space group number	210
Hermann-Mauguin space group symbol	F 41 3 2
Hall space group symbol	F 4d 2 3
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2229
Weighted residual factors for all reflections included in the refinement	0.25
Goodness-of-fit parameter for all reflections included in the refinement	1.211
Diffraction radiation wavelength	0.7749 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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