Crystallography Open Database

Information card for entry 4517579

Preview

Coordinates	4517579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl N2 O3
Calculated formula	C16 H11 Cl N2 O3
Title of publication	NHC-Catalyzed 1,2-Selective Hydroboration of Quinolines
Authors of publication	Jeong, Jinseong; Heo, Joon; Kim, Dongwook; Chang, Sukbok
Journal of publication	ACS Catalysis
Year of publication	2020
Journal volume	10
Journal issue	9
Pages of publication	5023 - 5029
a	7.4538 ± 0.0003 Å
b	16.3766 ± 0.0007 Å
c	12.0863 ± 0.0005 Å
α	90°
β	106.556 ± 0.002°
γ	90°
Cell volume	1414.18 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.054
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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