Crystallography Open Database

Information card for entry 7127424

Preview

Coordinates	7127424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H37 Cl15 K N O6
Calculated formula	C41.5 H37 Cl15 K N O6
Title of publication	Electrocatalytic oxidative Z/E isomerization of a stilbene favoured by the presence of an electroactive persistent radical.
Authors of publication	Mayorga-Burrezo, Paula; Sporer, Christian; de Sousa, J. Alejandro; Capra, Nicola; Wurst, Klaus; Crivillers, Núria; Veciana, Jaume; Rovira, Concepció
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	91
Pages of publication	14211 - 14214
a	11.603 ± 0.001 Å
b	13.398 ± 0.002 Å
c	19.749 ± 0.003 Å
α	90.788 ± 0.006°
β	105.517 ± 0.007°
γ	113.557 ± 0.007°
Cell volume	2686.3 ± 0.6 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 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	0.142
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
260683 (current)	2021-01-07	cif/ Updating files of 7127424 Original log message: Adding full bibliography for 7127424.cif.	7127424.cif
258480	2020-10-20	cif/ Adding structures of 7127424 via cif-deposit CGI script.	7127424.cif