Crystallography Open Database

Information card for entry 7125712

Preview

Coordinates	7125712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H66 N2 O5
Calculated formula	C56 H66 N2 O5
Title of publication	Photo-switching and -cyclisation of hydrogen bonded liquid crystals based on resveratrol.
Authors of publication	Blanke, Meik; Balszuweit, Jan; Saccone, Marco; Wölper, Christoph; Doblas Jiménez, David; Mezger, Markus; Voskuhl, Jens; Giese, Michael
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	7
Pages of publication	1105 - 1108
a	9.8815 ± 0.0013 Å
b	13.0611 ± 0.0016 Å
c	19.081 ± 0.003 Å
α	80.647 ± 0.006°
β	83.99 ± 0.006°
γ	79.057 ± 0.006°
Cell volume	2378.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247608 (current)	2020-02-04	cif/ Updating files of 7125711, 7125712 Original log message: Adding full bibliography for 7125711--7125712.cif.	7125712.cif
246446	2020-01-03	cif/ Adding structures of 7125711, 7125712 via cif-deposit CGI script.	7125712.cif