Crystallography Open Database

Information card for entry 7133872

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Coordinates	7133872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N O3
Calculated formula	C28 H27 N O3
Title of publication	Copper-Catalyzed Strain-Enabled Reaction of Bicyclobutanes with Diazo Compounds to Synthesis Penta-1,4-dienes
Authors of publication	yang, peng; Brockmann, Till; Wu, Xiao-Feng
Journal of publication	Chemical Communications
Year of publication	2024
a	8.8507 ± 0.0006 Å
b	29.1696 ± 0.0019 Å
c	9.5087 ± 0.0007 Å
α	90°
β	113.46 ± 0.0013°
γ	90°
Cell volume	2252 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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