Crystallography Open Database

Information card for entry 7133188

Preview

Coordinates	7133188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H106 N2 O18
Calculated formula	C81 H106 N2 O18
Title of publication	Vapochromic separation of toluene and pyridine azeotropes using adaptive macrocycle co-crystals.
Authors of publication	Li, Bin; Wang, Yun; Wang, Yuan; Liu, Yue; Wang, Lu; Zhang, Zhi-Yuan; Li, Chunju
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	54
Pages of publication	6889 - 6892
a	12.3241 ± 0.0018 Å
b	33.684 ± 0.006 Å
c	20.229 ± 0.003 Å
α	90°
β	96.013 ± 0.004°
γ	90°
Cell volume	8351 ± 2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.1246
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
292830 (current)	2024-07-05	cif/ Updating files of 7133188, 7133189 Original log message: Adding full bibliography for 7133188--7133189.cif.	7133188.cif
292423	2024-06-16	cif/ Adding structures of 7133188, 7133189 via cif-deposit CGI script.	7133188.cif