Crystallography Open Database

Information card for entry 4124478

Preview

Coordinates	4124478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H42 Cl2
Calculated formula	C57 H42 Cl2
Title of publication	Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.
Authors of publication	Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12282 - 12288
a	14.73721 ± 0.00018 Å
b	33.785 ± 0.0003 Å
c	9.62683 ± 0.0001 Å
α	90°
β	106.588 ± 0.0012°
γ	90°
Cell volume	4593.69 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
160526 (current)	2015-10-06	cif/ Updating files of 4124476, 4124477, 4124478 Original log message: Adding full bibliography for 4124476--4124478.cif.	4124478.cif
156358	2015-09-17	cif/ Adding structures of 4124478 via cif-deposit CGI script.	4124478.cif