Crystallography Open Database

Information card for entry 1576041

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Coordinates	1576041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2-MeIm]2[Sr(TTA)4]
Formula	C40 H30 F12 N4 O8 S4 Sr
Calculated formula	C40 H30 F12 N4 O8 S4 Sr
Title of publication	Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes via migratory insertion
Authors of publication	Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical Science
Year of publication	2025
a	12.9496 ± 0.0009 Å
b	14.9981 ± 0.001 Å
c	13.2216 ± 0.0009 Å
α	90°
β	112.546 ± 0.003°
γ	90°
Cell volume	2371.6 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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