Crystallography Open Database

Information card for entry 1574138

Preview

Coordinates	1574138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H88 Cl12
Calculated formula	C82 H88 Cl12
Title of publication	A triply linked propellane-nanoring hybrid serving as a good host
Authors of publication	Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	16
Pages of publication	6822 - 6827
a	16.4184 ± 0.0002 Å
b	29.5605 ± 0.0004 Å
c	16.8961 ± 0.0002 Å
α	90°
β	101.849 ± 0.001°
γ	90°
Cell volume	8025.56 ± 0.18 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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

Version history

Revision	Date	Message	Files
300607 (current)	2025-07-06	cif/ Updating files of 1574137, 1574138, 1574139 Original log message: Adding full bibliography for 1574137--1574139.cif.	1574138.cif
298381	2025-03-12	cif/ Adding structures of 1574137, 1574138, 1574139 via cif-deposit CGI script.	1574138.cif