Crystallography Open Database

Information card for entry 4517576

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Coordinates	4517576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O5
Calculated formula	C18 H14 N2 O5
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	7.4602 ± 0.0008 Å
b	7.7802 ± 0.0009 Å
c	14.1269 ± 0.0015 Å
α	92.011 ± 0.004°
β	102.586 ± 0.004°
γ	97.486 ± 0.004°
Cell volume	791.72 ± 0.15 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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