Crystallography Open Database

Information card for entry 4132340

Preview

Coordinates	4132340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H40 Br2 N4 O11 Zn2
Calculated formula	C50 H24 Br2 N2 O8 Zn2
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	11.291 ± 0.004 Å
b	15.799 ± 0.005 Å
c	18.292 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3263 ± 1.9 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	0.0829
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
242324 (current)	2019-11-26	cif/ Adding structures of 4132340 via cif-deposit CGI script.	4132340.cif