Crystallography Open Database

Information card for entry 7160527

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Coordinates	7160527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N2 O4
Calculated formula	C30 H32 N2 O4
Title of publication	Pd(II)-catalyzed regioselective hydroarylation of allenyl-containing α-amino acid derivatives with aryl boronic acids.
Authors of publication	Bubnova, Alexandra S.; Philippova, Anna N.; Gribanov, Pavel S.; Smol'yakov, Alexander F.; Osipov, Sergey N.; Vorobyeva, Daria V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	22
Pages of publication	5396 - 5400
a	9.531 ± 0.01 Å
b	11.853 ± 0.014 Å
c	12.147 ± 0.014 Å
α	70.51 ± 0.03°
β	74.23 ± 0.03°
γ	85.57 ± 0.04°
Cell volume	1245 ± 2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2045
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2875
Goodness-of-fit parameter for all reflections included in the refinement	0.857
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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