Crystallography Open Database

Information card for entry 7233500

Preview

Coordinates	7233500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 N4 O3
Calculated formula	C32 H46 N4 O3
SMILES	c1(c2ccc(cc2)OC(=O)c2ccc(cc2)OCCCCCCCCC)nn(CCCCCCCCC)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	6.1964 ± 0.0004 Å
b	7.3745 ± 0.0004 Å
c	33.1004 ± 0.0018 Å
α	93.63 ± 0.003°
β	94.782 ± 0.003°
γ	95.576 ± 0.003°
Cell volume	1496.24 ± 0.15 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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