Crystallography Open Database

Information card for entry 4038621

Preview

Coordinates	4038621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.75 H1.88 N0.12 O0.12
Calculated formula	C2.75 H1.875 N0.125 O0.125
Title of publication	Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines.
Authors of publication	Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.6652 ± 0.0003 Å
b	10.2251 ± 0.0003 Å
c	10.0678 ± 0.0004 Å
α	90°
β	97.411 ± 0.003°
γ	90°
Cell volume	782.5 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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