Crystallography Open Database

Information card for entry 7234762

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Coordinates	7234762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 N3 O3
Calculated formula	C25 H19 N3 O3
Title of publication	Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones
Authors of publication	Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	58
Pages of publication	34088
a	22.5681 ± 0.0016 Å
b	11.6407 ± 0.0007 Å
c	15.4198 ± 0.0008 Å
α	90°
β	91.255 ± 0.003°
γ	90°
Cell volume	4049.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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