Crystallography Open Database

Information card for entry 4518706

Preview

Coordinates	4518706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H185 N8 O16
Calculated formula	C156 H193 N8 O16
Title of publication	Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.
Authors of publication	Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	20
Pages of publication	24042 - 24050
a	17.2006 ± 0.0005 Å
b	19.4445 ± 0.0007 Å
c	21.6853 ± 0.0005 Å
α	86.642 ± 0.002°
β	74.203 ± 0.002°
γ	81.661 ± 0.003°
Cell volume	6903.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	0.717
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265745 (current)	2021-06-04	cif/ Updating files of 4518702, 4518703, 4518704, 4518705, 4518706, 4518707, 4518708, 4518709 Original log message: Adding full bibliography for 4518702--4518709.cif.	4518706.cif
265183	2021-05-14	cif/ Adding structures of 4518702, 4518703, 4518704, 4518705, 4518706, 4518707, 4518708, 4518709 via cif-deposit CGI script.	4518706.cif