Crystallography Open Database

Information card for entry 7716866

Preview

Coordinates	7716866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H B Cl O
Calculated formula	C2.11966 H2.46154 B0.683761 O0.273504
Title of publication	The synthesis and application of <i>o</i>-carborane-based macrocyclic arenes.
Authors of publication	Liu, Jiayi; Fu, Meigui; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	36
Pages of publication	15316 - 15323
a	19.3942 ± 0.0002 Å
b	13.1304 ± 0.0001 Å
c	33.0142 ± 0.0003 Å
α	90°
β	96.091 ± 0.001°
γ	90°
Cell volume	8359.72 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.2255
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
295253 (current)	2024-10-06	cif/ Updating files of 7716865, 7716866 Original log message: Adding full bibliography for 7716865--7716866.cif.	7716866.cif
294201	2024-08-24	cif/ Adding structures of 7716865, 7716866 via cif-deposit CGI script.	7716866.cif