Crystallography Open Database

Information card for entry 7123851

Preview

Coordinates	7123851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.67 H1.96 N0.16 O0.08 P0.08 Pd0.08
Calculated formula	C2.66667 H1.96078 N0.156863 O0.0784314 P0.0784314 Pd0.0784314
Title of publication	Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones
Authors of publication	Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen
Journal of publication	Chemical Communications
Year of publication	2019
a	8.88834 ± 0.00018 Å
b	18.6381 ± 0.0004 Å
c	16.8048 ± 0.0003 Å
α	90°
β	102.007 ± 0.002°
γ	90°
Cell volume	2723.01 ± 0.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.0353
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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

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