Crystallography Open Database

Information card for entry 7236439

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Structure parameters

Formula	C12 H17 N O4
Calculated formula	C12 H17 N O4
Title of publication	1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications
Authors of publication	Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi
Journal of publication	Journal of Materials Chemistry B
Year of publication	2017
Journal volume	5
Journal issue	3
Pages of publication	464
a	7.462 ± 0.007 Å
b	7.524 ± 0.007 Å
c	11.643 ± 0.011 Å
α	98.794 ± 0.013°
β	90.593 ± 0.014°
γ	103.259 ± 0.013°
Cell volume	628.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1632
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2039
Weighted residual factors for all reflections included in the refinement	0.2523
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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