Crystallography Open Database

Information card for entry 4518592

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Coordinates	4518592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 N0 O8
Calculated formula	C46 H37 O8
Title of publication	A Novel Hydrogen-Bonded Organic Framework with Highly Permanent Porosity for Boosting Ethane/Ethylene Separation
Authors of publication	Wang, Jia-Xin; Gu, Xiao-Wen; Lin, Yu-Xin; Li, Bin; Qian, Guodong
Journal of publication	ACS Materials Letters
Year of publication	2021
Pages of publication	497 - 503
a	13.359 ± 0.003 Å
b	49.113 ± 0.012 Å
c	51.861 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	34026 ± 14 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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