Crystallography Open Database

Information card for entry 4514888

Preview

Coordinates	4514888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 F6 N2 O8
Calculated formula	C27.999 H26 F5.997 N2 O8
Title of publication	Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate
Authors of publication	Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	3
Pages of publication	2110
a	11.7248 ± 0.0012 Å
b	13.6488 ± 0.0013 Å
c	19.0159 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3043.1 ± 0.5 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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