Crystallography Open Database

Information card for entry 1571375

Preview

Coordinates	1571375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25.17 N O2.08
Calculated formula	C25 H25.1666 N O2.0833
Title of publication	Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.
Authors of publication	Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6884 - 6890
a	11.43405 ± 0.00006 Å
b	11.43405 ± 0.00006 Å
c	25.89293 ± 0.00013 Å
α	90°
β	90°
γ	120°
Cell volume	2931.65 ± 0.03 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292914 (current)	2024-07-05	cif/ Updating files of 1571375 Original log message: Adding full bibliography for 1571375.cif.	1571375.cif
290792	2024-04-05	cif/ Adding structures of 1571375 via cif-deposit CGI script.	1571375.cif