Crystallography Open Database

Information card for entry 4519426

4519425 << 4519426 >> 4519427

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Coordinates	4519426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 N O4
Calculated formula	C25 H15 N O4
Title of publication	Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes
Authors of publication	Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2022
Journal volume	10
Journal issue	10
Pages of publication	3288 - 3294
a	8.6432 ± 0.0004 Å
b	11.0448 ± 0.0005 Å
c	11.1069 ± 0.0004 Å
α	62.407 ± 0.004°
β	72.632 ± 0.004°
γ	84.054 ± 0.004°
Cell volume	896.1 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0437
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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