Crystallography Open Database

Information card for entry 7107087

Preview

Coordinates	7107087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9.5 N O5.25
Calculated formula	C10 H9.4 N O5.2
Title of publication	Sustainable Byproduct Catalyzed Domino Strategy: Facile Synthesis of a-formyloxy and Acetoxy Ketones via Iodination/Nucleophilic Substitution/Hydrolyzation/Oxidation Sequences
Authors of publication	Yan-Ping Zhu; Qing-He Gao; Mi Lian; Jing-Jing Yuan; Mei-Cai Liu; Qin Zhao; Yan Yang; An-Xin Wu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	12700
a	9.077 ± 0.005 Å
b	12.606 ± 0.007 Å
c	9.405 ± 0.005 Å
α	90°
β	102.097 ± 0.009°
γ	90°
Cell volume	1052.3 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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