Crystallography Open Database

Information card for entry 7121850

Preview

Coordinates	7121850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H66 Cl2 O12
Calculated formula	C67 H66 Cl2 O12
Title of publication	Allosteric cooperativity in ternary complexes with low symmetry.
Authors of publication	Chai, Hongxin; Yang, Liu-Pan; Ke, Hua; Pang, Xin-Yu; Jiang, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	55
Pages of publication	7677 - 7680
a	12.3158 ± 0.0004 Å
b	12.769 ± 0.0004 Å
c	19.5858 ± 0.0006 Å
α	85.884 ± 0.002°
β	73.714 ± 0.002°
γ	80.961 ± 0.002°
Cell volume	2918.52 ± 0.16 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228057 (current)	2019-11-17	cif/ Updating files of 7121849, 7121850 Original log message: Adding full bibliography for 7121849--7121850.cif.	7121850.cif
208470	2018-06-18	cif/ Adding structures of 7121849, 7121850 via cif-deposit CGI script.	7121850.cif