Crystallography Open Database

Information card for entry 7057079

Preview

Coordinates	7057079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 B F2 N5 O10
Calculated formula	C40 H48 B F2 N5 O10
Title of publication	Syntheses of 1,2,3-triazole-BODIPYs bearing up to three carbohydrate units
Authors of publication	Nguyen, Alex L.; Griffin, Kaitlin E.; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M. Graça H.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	8241
a	13.3965 ± 0.0015 Å
b	9.2534 ± 0.001 Å
c	17.1816 ± 0.0019 Å
α	90°
β	104.822 ± 0.008°
γ	90°
Cell volume	2059 ± 0.4 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1409
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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