Crystallography Open Database

Information card for entry 7234760

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Coordinates	7234760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N3 O3
Calculated formula	C26 H25 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	6.5794 ± 0.0003 Å
b	11.6584 ± 0.0006 Å
c	14.6736 ± 0.0008 Å
α	91.4149 ± 0.0017°
β	101.297 ± 0.0016°
γ	104.866 ± 0.0016°
Cell volume	1063.45 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.049
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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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