Crystallography Open Database

Information card for entry 4038848

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Coordinates	4038848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N2 O6
Calculated formula	C18 H22 N2 O6
Title of publication	Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes.
Authors of publication	Yuan, Jinping; Jain, Pankaj; Antilla, Jon C.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	5.921 ± 0.0001 Å
b	9.6597 ± 0.0001 Å
c	32.1824 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1840.68 ± 0.05 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 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	0.0368
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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