Crystallography Open Database

Information card for entry 1507578

Preview

Coordinates	1507578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 F N O4
Calculated formula	C12 H12 F N O4
SMILES	Fc1cc2N(C(=O)C(O)(c2cc1)C(=O)OCC)C
Title of publication	Phenyliodine Bis(trifluoroacetate)-Mediated Oxidative C-C Bond Formation: Synthesis of 3-Hydroxy-2-oxindoles and Spirooxindoles from Anilides.
Authors of publication	Wang, Junwei; Yuan, Yucheng; Xiong, Rui; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	2210 - 2213
a	7.2341 ± 0.0014 Å
b	9.0463 ± 0.0018 Å
c	18.335 ± 0.004 Å
α	86.03 ± 0.03°
β	85.74 ± 0.03°
γ	82.12 ± 0.03°
Cell volume	1183.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1289
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.3178
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194547 (current)	2017-03-27	cif/1 Fixing some wrong Z values and formulae	1507578.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507578.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507578.cif
57535	2012-05-18	cif/ Adding structures of 1507578 via cif-deposit CGI script.	1507578.cif