Crystallography Open Database

Information card for entry 4032128

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Structure parameters

Formula	C12 H20 N2 O2
Calculated formula	C12 H20 N2 O2
SMILES	O=C1N(C(=O)C=C1NCCCC)CCCC
Title of publication	One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.
Authors of publication	Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	2
Pages of publication	1096 - 1104
a	4.9314 ± 0.0003 Å
b	9.9036 ± 0.0007 Å
c	13.2788 ± 0.001 Å
α	97.898 ± 0.006°
β	91.398 ± 0.006°
γ	102.64 ± 0.006°
Cell volume	625.8 ± 0.08 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0508
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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