Crystallography Open Database

Information card for entry 1534130

Preview

Coordinates	1534130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2
Calculated formula	C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2
Title of publication	A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols
Authors of publication	Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	358
a	13.668 ± 0.006 Å
b	15.095 ± 0.006 Å
c	19.109 ± 0.008 Å
α	79.735 ± 0.004°
β	89.183 ± 0.004°
γ	63.926 ± 0.004°
Cell volume	3475 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1534130.cif
175924	2016-02-05	cif/ Updating files of 1534126, 1534127, 1534128, 1534129, 1534130 Original log message: Adding full bibliography for 1534126--1534130.cif.	1534130.cif
160592	2015-10-07	cif/ Adding structures of 1534126, 1534127, 1534128, 1534129, 1534130 via cif-deposit CGI script.	1534130.cif