Crystallography Open Database

Information card for entry 7233499

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Coordinates	7233499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 N4 O3
Calculated formula	C26 H34 N4 O3
SMILES	c1(c2ccc(cc2)OC(=O)c2ccc(cc2)OCCCCCC)nn(CCCCCC)nn1
Title of publication	Synthesis and characterization of some novel tetrazole liquid crystals
Authors of publication	Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	5583 - 5593
a	8.8808 ± 0.0003 Å
b	10.9801 ± 0.0003 Å
c	13.8034 ± 0.0004 Å
α	82.731 ± 0.002°
β	72.77 ± 0.001°
γ	76.798 ± 0.002°
Cell volume	1249.11 ± 0.07 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.0785
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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