Crystallography Open Database

Information card for entry 1569539

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Coordinates	1569539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O5
Calculated formula	C17 H19 N O5
Title of publication	Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.
Authors of publication	Lu, Licheng; Lu, Ping
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	31
Pages of publication	8355 - 8359
a	9.1016 ± 0.0001 Å
b	9.8723 ± 0.0001 Å
c	17.9089 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1609.18 ± 0.03 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 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	0.0259
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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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