Crystallography Open Database

Information card for entry 7062164

Preview

Coordinates	7062164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H52 N6 O7 S3
Calculated formula	C45 H52 N6 O7 S3
Title of publication	Two carbazole disulfonamide-diamide macrocycles with semi-flexible meta-xylyl linkages for anion recognition
Authors of publication	Li, Junhong; Yuan, Lisha; Yang, Qinrong; Zhang, Ningjin; Bao, Xiaoping
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2343 - 2349
a	9.515 ± 0.0013 Å
b	19.552 ± 0.003 Å
c	57.266 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	10654 ± 3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281504 (current)	2023-03-04	cif/ Updating files of 7062164 Original log message: Adding full bibliography for 7062164.cif.	7062164.cif
279882	2022-12-14	cif/ Adding structures of 7062164 via cif-deposit CGI script.	7062164.cif