Crystallography Open Database

Information card for entry 1506771

Preview

Coordinates	1506771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 N O4
Calculated formula	C13 H15 N O4
SMILES	O=N(=O)c1ccc(cc1)/C=C1\COC(OCC)C1
Title of publication	Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.
Authors of publication	Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	25
Pages of publication	5689 - 5692
a	11.014 ± 0.001 Å
b	13.147 ± 0.002 Å
c	4.8355 ± 0.0006 Å
α	95.35 ± 0.01°
β	97.18 ± 0.01°
γ	113.337 ± 0.008°
Cell volume	629.98 ± 0.15 Å³
Cell temperature	296.2 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	0.0607
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.498
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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