Crystallography Open Database

Information card for entry 1568045

Preview

Coordinates	1568045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H58 O5
Calculated formula	C51 H58 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	10.6821 ± 0.0002 Å
b	12.0842 ± 0.0001 Å
c	17.057 ± 0.0002 Å
α	93.142 ± 0.001°
β	105.229 ± 0.001°
γ	97.685 ± 0.001°
Cell volume	2096.06 ± 0.05 Å³
Cell temperature	100.2 ± 0.5 K
Ambient diffraction temperature	100.2 ± 0.5 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	1568045.cif
279741	2022-12-07	cif/ Adding structures of 1568045, 1568046 via cif-deposit CGI script.	1568045.cif