Crystallography Open Database

Information card for entry 7157480

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Coordinates	7157480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 N0 O12
Calculated formula	C40 H32 O12
Title of publication	Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.
Authors of publication	Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	19
Pages of publication	3697 - 3706
a	18.987 ± 0.004 Å
b	25.021 ± 0.006 Å
c	7.087 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3366.8 ± 1.4 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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