Crystallography Open Database

Information card for entry 1568046

Preview

Coordinates	1568046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H56 O5
Calculated formula	C51 H56 O5
Title of publication	Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.
Authors of publication	Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	827 - 832
a	9.359 ± 0.0001 Å
b	12.7052 ± 0.0001 Å
c	18.7749 ± 0.0001 Å
α	80.266 ± 0.001°
β	79.829 ± 0.001°
γ	76.85 ± 0.001°
Cell volume	2120.34 ± 0.03 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
281363 (current)	2023-03-04	cif/ Updating files of 1568045, 1568046 Original log message: Adding full bibliography for 1568045--1568046.cif.	1568046.cif
279741	2022-12-07	cif/ Adding structures of 1568045, 1568046 via cif-deposit CGI script.	1568046.cif