Crystallography Open Database

Information card for entry 4107603

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Coordinates	4107603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 N O2
Calculated formula	C9 H11 N O2
Title of publication	A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation
Authors of publication	Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3760 - 3761
a	6.891 ± 0.005 Å
b	11.639 ± 0.008 Å
c	10.71 ± 0.007 Å
α	90°
β	94.203 ± 0.01°
γ	90°
Cell volume	856.7 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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