Crystallography Open Database

Information card for entry 7119774

7119773 << 7119774 >> 7119775

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Coordinates	7119774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H137 Cl6 N3 O8
Calculated formula	C122 H137 Cl6 N3 O8
Title of publication	De novo endo-functionalized organic cages as cooperative multi-hydrogen-bond-donating catalysts.
Authors of publication	Chen, Hong-Yu; Gou, Meng; Wang, Jiao-Bing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	25
Pages of publication	3524 - 3526
a	17.7964 ± 0.0003 Å
b	20.6944 ± 0.0005 Å
c	21.5845 ± 0.0004 Å
α	109.368 ± 0.002°
β	106.354 ± 0.002°
γ	104.44 ± 0.002°
Cell volume	6660.2 ± 0.3 Å³
Cell temperature	150 ± 10 K
Ambient diffraction temperature	150 ± 10 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.3046
Weighted residual factors for all reflections included in the refinement	0.3294
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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