Crystallography Open Database

Information card for entry 7716865

Preview

Coordinates	7716865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H B Cl O
Calculated formula	C2.49275 H3.47826 B0.57971 O0.231884
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	35.4113 ± 0.0003 Å
b	16.8031 ± 0.0001 Å
c	17.1648 ± 0.0002 Å
α	90°
β	103.897 ± 0.001°
γ	90°
Cell volume	9914.44 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0654
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
295253 (current)	2024-10-06	cif/ Updating files of 7716865, 7716866 Original log message: Adding full bibliography for 7716865--7716866.cif.	7716865.cif
294201	2024-08-24	cif/ Adding structures of 7716865, 7716866 via cif-deposit CGI script.	7716865.cif