Crystallography Open Database

Information card for entry 4031999

4031998 << 4031999 >> 4032000

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Structure parameters

Formula	C23 H26 F2 N2 O2
Calculated formula	C23 H26 F2 N2 O2
SMILES	FC(F)(CC1(C(=O)N(c2c1cccc2)C)Cc1ccccc1)C(=O)N(CC)CC
Title of publication	Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.
Authors of publication	Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	13
Pages of publication	5782 - 5788
a	14.3541 ± 0.0008 Å
b	12.9841 ± 0.0009 Å
c	23.2417 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4331.7 ± 0.5 Å³
Cell temperature	295.06 ± 0.1 K
Ambient diffraction temperature	295.06 ± 0.1 K
Number of distinct elements	5
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	0.2101
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.3318
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4031999.cif
184936	2016-08-05	cif/ Updating files of 4031999 Original log message: Adding full bibliography for 4031999.cif.	4031999.cif
183888	2016-06-24	cif/ Adding structures of 4031999 via cif-deposit CGI script.	4031999.cif