Crystallography Open Database

Information card for entry 7123849

Preview

Coordinates	7123849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.57 H8 N1.14 O0.57
Calculated formula	C12.5714 H8 N1.14286 O0.571429
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	12.4387 ± 0.0007 Å
b	9.6197 ± 0.0005 Å
c	13.4146 ± 0.0009 Å
α	90°
β	100.572 ± 0.006°
γ	90°
Cell volume	1577.9 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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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