Crystallography Open Database

Information card for entry 7119589

7119588 << 7119589 >> 7119590

Preview

Coordinates	7119589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H87 F18 N3 O18 P3
Calculated formula	C74 H87 F18 N3 O18 P3
Title of publication	Taco complex-templated highly regio- and stereo-selective photodimerization of a coumarin-containing crown ether
Authors of publication	Wei, Peifa; Wang, Haoze; Jie, Kecheng; Huang, Feihe
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2017
Journal volume	53
Journal issue	10
Pages of publication	1688 - 1691
a	12.9533 ± 0.0007 Å
b	13.437 ± 0.0006 Å
c	26.4914 ± 0.0013 Å
α	82.573 ± 0.004°
β	79.383 ± 0.005°
γ	65.221 ± 0.005°
Cell volume	4107.7 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2134
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.2748
Weighted residual factors for all reflections included in the refinement	0.3594
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7119525
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211011 (current)	2018-09-15	cif/7/11/95/ Updating bibliography in entries 7119524-7119525, 7119588-7119589. Marking entries 7119588-7119589 as duplicates of entries 7119524-7119525.	7119589.cif
191433	2017-02-04	cif/ Adding structures of 7119588, 7119589 via cif-deposit CGI script.	7119589.cif