Crystallography Open Database

Information card for entry 7054313

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Coordinates	7054313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H42 N2 O2
Calculated formula	C31 H42 N2 O2
SMILES	O(c1ccc(c2nc(OC)cc(c3ccncc3)c2)cc1)CCCCCCCCCCCCCC
Title of publication	2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties
Authors of publication	N., Ahipa T.; Adhikari, Airody Vasudeva
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	10
Pages of publication	5018
a	7.3355 ± 0.0005 Å
b	9.7607 ± 0.0007 Å
c	19.5372 ± 0.0014 Å
α	97.873 ± 0.005°
β	94.801 ± 0.004°
γ	104.46 ± 0.004°
Cell volume	1331.6 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1121
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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