Crystallography Open Database

Information card for entry 7157760

Preview

Coordinates	7157760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O
Calculated formula	C23 H17 N O
Title of publication	Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates
Authors of publication	Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2020
Journal volume	18
Journal issue	45
Pages of publication	9253 - 9260
a	8.8725 ± 0.0004 Å
b	11.6847 ± 0.0005 Å
c	16.8773 ± 0.0008 Å
α	90°
β	102.266 ± 0.002°
γ	90°
Cell volume	1709.77 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.266
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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