Crystallography Open Database

Information card for entry 1576044

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Coordinates	1576044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 N3 O3
Calculated formula	C33 H27 N3 O3
Title of publication	Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes via migratory insertion
Authors of publication	Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical Science
Year of publication	2025
a	17.8476 ± 0.0005 Å
b	27.8909 ± 0.0008 Å
c	23.5021 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	11699 ± 0.6 Å³
Cell temperature	151 K
Ambient diffraction temperature	151 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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