Crystallography Open Database

Information card for entry 1576040

Preview

Coordinates	1576040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl F2 N O4
Calculated formula	C30 H26 Cl F2 N O4
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	15.7945 ± 0.0006 Å
b	5.0027 ± 0.0002 Å
c	17.3264 ± 0.0006 Å
α	90°
β	113.066 ± 0.004°
γ	90°
Cell volume	1259.6 ± 0.09 Å³
Cell temperature	175 ± 5 K
Ambient diffraction temperature	175 ± 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	0.0458
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1576040.html