Crystallography Open Database

Information card for entry 7158051

Preview

Coordinates	7158051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 F N2 O3
Calculated formula	C29 H29 F N2 O3
SMILES	Fc1cccc2c1N(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H](c1ccccc1)/C=C/c1ccccc1)C
Title of publication	Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.
Authors of publication	Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	21
Pages of publication	4720 - 4725
a	11.3249 ± 0.00016 Å
b	10.11966 ± 0.00012 Å
c	11.47015 ± 0.00015 Å
α	90°
β	106.002 ± 0.0014°
γ	90°
Cell volume	1263.59 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266180 (current)	2021-06-05	cif/ Updating files of 7158051, 7158052 Original log message: Adding full bibliography for 7158051--7158052.cif.	7158051.cif
264848	2021-05-05	cif/ Adding structures of 7158051, 7158052 via cif-deposit CGI script.	7158051.cif