Crystallography Open Database

Information card for entry 4022319

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Structure parameters

Formula	C12 H16 N2 O3
Calculated formula	C24 H32 N4 O6
SMILES	O(C1=NC(=C(CC(OCC)C=C1)C#N)OC)C
Title of publication	Regioselective Photocycloaddition of Pyridine Derivatives to Electron-Rich Alkenes
Authors of publication	Masami Sakamoto; Takeru Sano; Shohei Fujita; Masaru Ando; Kentaro Yamaguchi; Takashi Mino; Tsutomu Fujita
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	1447 - 1450
a	7.32 ± 0.004 Å
b	9.327 ± 0.005 Å
c	10.009 ± 0.005 Å
α	95.736 ± 0.007°
β	107.392 ± 0.006°
γ	94.547 ± 0.007°
Cell volume	644.4 ± 0.5 Å³
Cell temperature	299.2 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 significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.932
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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