Crystallography Open Database

Information card for entry 7125711

Preview

Coordinates	7125711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H93 N3 O6
Calculated formula	C77 H93 N3 O6
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	22.357 ± 0.003 Å
b	10.054 ± 0.0015 Å
c	28.899 ± 0.004 Å
α	90°
β	91.602 ± 0.008°
γ	90°
Cell volume	6493.3 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
247608 (current)	2020-02-04	cif/ Updating files of 7125711, 7125712 Original log message: Adding full bibliography for 7125711--7125712.cif.	7125711.cif
246446	2020-01-03	cif/ Adding structures of 7125711, 7125712 via cif-deposit CGI script.	7125711.cif