Crystallography Open Database

Information card for entry 7160020

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Coordinates	7160020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N O2
Calculated formula	C16 H15 N O2
Title of publication	Copper-catalyzed asymmetric 1,2-arylboration of enamines: access to chiral borate-containing 3,3'-disubstituted isoindolinones.
Authors of publication	Xie, Jia-Qi; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	30
Pages of publication	6085 - 6089
a	9.2774 ± 0.0003 Å
b	11.2639 ± 0.0004 Å
c	12.0479 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1259 ± 0.07 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.256
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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