Crystallography Open Database

Information card for entry 4025613

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Coordinates	4025613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 N2 O3
Calculated formula	C11 H12 N2 O3
Title of publication	Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation
Authors of publication	Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	5882 - 5887
a	35.53 ± 0.005 Å
b	35.53 ± 0.005 Å
c	5.4355 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	5942.4 ± 1.4 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.251
Weighted residual factors for all reflections included in the refinement	0.283
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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