Crystallography Open Database

Information card for entry 7107637

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Coordinates	7107637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 N12 O12
Calculated formula	C72 H84 N12 O12
Title of publication	Reversible water uptake by an imine-based porous organic cage
Authors of publication	Thomas Hasell; Marc Schmidtmann; Martin Smith; Corinne Stone; Andrew Cooper
Journal of publication	Chem. Commun.
Year of publication	2012
Journal volume	48
Pages of publication	4689
a	25.1381 ± 0.0007 Å
b	25.1381 ± 0.0007 Å
c	25.1381 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	15885.4 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0902
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2553
Weighted residual factors for all reflections included in the refinement	0.257
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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