Crystallography Open Database

Information card for entry 1559876

Preview

Coordinates	1559876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46 Cl2 N2 O11
Calculated formula	C55 H46 Cl2 N2 O11
Title of publication	Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.
Authors of publication	Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	8
Pages of publication	2940 - 2947
a	19.2448 ± 0.0005 Å
b	19.2448 ± 0.0005 Å
c	26.8461 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9942.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267051 (current)	2021-07-05	cif/ Updating files of 1559874, 1559875, 1559876 Original log message: Adding full bibliography for 1559874--1559876.cif.	1559876.cif
263686	2021-04-05	cif/ Updating files of 1559874, 1559875, 1559876 Original log message: Adding full bibliography for 1559874--1559876.cif.	1559876.cif
260173	2020-12-28	cif/ Adding structures of 1559874, 1559875, 1559876 via cif-deposit CGI script.	1559876.cif