Crystallography Open Database

Information card for entry 7133177

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Coordinates	7133177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 N0 O4
Calculated formula	C29 H28 O4
Title of publication	Phosphine-Catalyzed (3+3) Annulation of Cinnamaldehyde-Derived Morita-Baylis-Hillman Carbonates with Dinucleophiles
Authors of publication	Ren, Yue; Shi, Wangyu; Tang, Yi; Guo, Hongchao
Journal of publication	Chemical Communications
Year of publication	2024
a	19.9766 ± 0.0015 Å
b	15.8235 ± 0.0011 Å
c	15.6346 ± 0.0012 Å
α	90°
β	93.935 ± 0.003°
γ	90°
Cell volume	4930.4 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.11 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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