Crystallography Open Database

Information card for entry 7060468

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Coordinates	7060468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cl N O4
Calculated formula	C16 H14 Cl N O4
Title of publication	Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives
Authors of publication	Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	15
Pages of publication	6640 - 6650
a	7.9071 ± 0.0002 Å
b	28.296 ± 0.0006 Å
c	7.1173 ± 0.0002 Å
α	90°
β	115.383 ± 0.004°
γ	90°
Cell volume	1438.69 ± 0.08 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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