Crystallography Open Database

Information card for entry 7157611

Preview

Coordinates	7157611.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis,cis-indigo dimer
Formula	C256 H152 N32 O36
Calculated formula	C256 H152 N32 O36
Title of publication	Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.
Authors of publication	Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	30
Pages of publication	5838 - 5842
a	27.7629 ± 0.0015 Å
b	10.8917 ± 0.0006 Å
c	17.5795 ± 0.0009 Å
α	90°
β	113.574 ± 0.004°
γ	90°
Cell volume	4872.1 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7157611.html