Crystallography Open Database

Information card for entry 7246620

Preview

Coordinates	7246620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl2 N O2
Calculated formula	C27 H31 Cl2 N O2
SMILES	c1(cc(cc(c1)Cl)Cl)O.c1cc(ccn1)/C=C/c1ccc(cc1)OCCCCCCCC
Title of publication	Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols
Authors of publication	Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	18
Pages of publication	2778 - 2788
a	7.8919 ± 0.0015 Å
b	11.242 ± 0.002 Å
c	14.8 ± 0.003 Å
α	76.592 ± 0.004°
β	81.917 ± 0.004°
γ	76.998 ± 0.004°
Cell volume	1239.1 ± 0.4 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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