Crystallography Open Database

Information card for entry 7123856

Preview

Coordinates	7123856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.97 H1.83 N0.23 O0.11
Calculated formula	C2.97143 H1.82857 N0.228571 O0.114286
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	7.9197 ± 0.0008 Å
b	11.2944 ± 0.0011 Å
c	21.008 ± 0.002 Å
α	90°
β	97.906 ± 0.009°
γ	90°
Cell volume	1861.3 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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