Crystallography Open Database

Information card for entry 7120019

7120018 << 7120019 >> 7120020

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Coordinates	7120019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C382.5 H444 N24 O48
Calculated formula	C382.5 H444 N24 O48
Title of publication	A chiral member of the family of organic hexameric cages.
Authors of publication	Wierzbicki, M.; Głowacka, A A; Szymański, M P; Szumna, A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	37
Pages of publication	5200 - 5203
a	36.9553 ± 0.0007 Å
b	36.9553 ± 0.0007 Å
c	119.924 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	141837 ± 5 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1497
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2383
Weighted residual factors for all reflections included in the refinement	0.2595
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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