Crystallography Open Database

Information card for entry 4119030

4119029 << 4119030 >> 4119031

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Coordinates	4119030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 F3 N6 O6 Re S
Calculated formula	C25 H28 F3 N6 O6 Re S
Title of publication	Re-Mediated C-C Coupling of Pyridines and Imidazoles
Authors of publication	Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20326 - 20329
a	13.6164 ± 0.0008 Å
b	15.5341 ± 0.0009 Å
c	16.0883 ± 0.0011 Å
α	89.142 ± 0.004°
β	77.599 ± 0.004°
γ	77.534 ± 0.003°
Cell volume	3243.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2418
Weighted residual factors for all reflections included in the refinement	0.2763
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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