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 via 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
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

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