Crystallography Open Database

Information card for entry 1576043

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Coordinates	1576043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 N2 O3
Calculated formula	C38 H30 N2 O3
Title of publication	Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> 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
Journal volume	16
Journal issue	47
Pages of publication	22456 - 22464
a	20.9949 ± 0.0014 Å
b	10.6889 ± 0.0007 Å
c	26.4893 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5944.5 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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