Crystallography Open Database

Information card for entry 7132948

Preview

Coordinates	7132948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C163 H47 Cl4 N9 O6
Calculated formula	C163 H47 Cl4 N9 O6
Title of publication	A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.
Authors of publication	Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	37
Pages of publication	4962 - 4965
a	26.5926 ± 0.0007 Å
b	32.943 ± 0.0007 Å
c	30.1206 ± 0.0012 Å
α	90°
β	113.007 ± 0.004°
γ	90°
Cell volume	24288 ± 1.5 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2002
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.2615
Weighted residual factors for all reflections included in the refinement	0.2962
Goodness-of-fit parameter for all reflections included in the refinement	1.395
Diffraction radiation probe	x-ray
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
291506 (current)	2024-05-05	cif/ Updating files of 7132945, 7132946, 7132947, 7132948 Original log message: Adding full bibliography for 7132945--7132948.cif.	7132948.cif
291163	2024-04-11	cif/ Adding structures of 7132945, 7132946, 7132947, 7132948 via cif-deposit CGI script.	7132948.cif