Crystallography Open Database

Information card for entry 7157798

Preview

Coordinates	7157798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 F3 N3 O6
Calculated formula	C28 H26 F3 N3 O6
SMILES	FC(F)(F)[C@]1(C(=O)OCC)[C@@]2(Oc3n(nc(c13)C)c1ccccc1)c1c(N(C(=O)OC(C)(C)C)C2=O)cccc1
Title of publication	Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.
Authors of publication	Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	47
Pages of publication	9623 - 9631
a	8.8532 ± 0.0001 Å
b	13.7373 ± 0.0002 Å
c	11.5286 ± 0.0002 Å
α	90°
β	107.761 ± 0.002°
γ	90°
Cell volume	1335.27 ± 0.04 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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	0.0341
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
260817 (current)	2021-01-07	cif/ Updating files of 7157797, 7157798 Original log message: Adding full bibliography for 7157797--7157798.cif.	7157798.cif
259464	2020-12-02	cif/ Adding structures of 7157797, 7157798 via cif-deposit CGI script.	7157798.cif