Crystallography Open Database

Information card for entry 7134717

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Coordinates	7134717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 Cl9 Ga3 N3 O6
Calculated formula	C16 H17 Cl9 Ga3 N3 O6
Title of publication	Group 13 Lewis acid-mediated formation of 5-oxazolone derivatives from <i>tert</i>-butyl isocyanoacetate.
Authors of publication	He, Zhou; Ju, Shaoying; Chen, Ting; Zhang, Xinghua; Stephan, Douglas W.; Wu, Yile
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	57
Pages of publication	10582 - 10585
a	43.189 ± 0.004 Å
b	6.5024 ± 0.0006 Å
c	30.529 ± 0.003 Å
α	90°
β	134.875 ± 0.01°
γ	90°
Cell volume	6075.6 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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