Crystallography Open Database

Information card for entry 7237904

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Coordinates	7237904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 N6 O6
Calculated formula	C36 H38 N6 O6
Title of publication	Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding
Authors of publication	Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	28
Pages of publication	8643
a	10.5345 ± 0.0005 Å
b	17.8146 ± 0.0008 Å
c	18.0404 ± 0.0008 Å
α	97.6867 ± 0.0014°
β	103.314 ± 0.0014°
γ	93.6974 ± 0.0014°
Cell volume	3249 ± 0.3 Å³
Cell temperature	134 ± 2 K
Ambient diffraction temperature	134 ± 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	0.0401
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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