Crystallography Open Database

Information card for entry 7159637

Preview

Coordinates	7159637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 O4
Calculated formula	C31 H24 O4
Title of publication	Palladium-catalyzed stereoselective construction of chiral allenes bearing nonadjacent axial and two central chirality.
Authors of publication	Liu, Li-Xia; Huang, Wen-Jun; Yu, Chang-Bin; Zhou, Yong-Gui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	42
Pages of publication	8516 - 8520
a	7.6935 ± 0.0002 Å
b	9.733 ± 0.0002 Å
c	33.1956 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2485.71 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0729
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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