Crystallography Open Database

Information card for entry 4132346

Preview

Coordinates	4132346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H56 Br2 N6 O14 Zn2
Calculated formula	C14 H6 Br0.5 N0.5 O2 Zn0.5
Title of publication	Flipping the Switch: Fast Photoisomerization in a Confined Environment.
Authors of publication	Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7611 - 7622
a	11.149 ± 0.002 Å
b	15.869 ± 0.003 Å
c	22.608 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3999.9 ± 1.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.2279
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
242330 (current)	2019-11-26	cif/ Adding structures of 4132346 via cif-deposit CGI script.	4132346.cif