Crystallography Open Database

Information card for entry 7157797

Preview

Coordinates	7157797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 Cl F3 N O7
Calculated formula	C27 H21 Cl F3 N O7
SMILES	Clc1cc2c(N(C(=O)OC(C)(C)C)C(=O)[C@@]32C2(C(=O)c4c(C2=O)cccc4)[C@@]3(C(=O)OCC)C(F)(F)F)cc1.Clc1cc2c(N(C(=O)OC(C)(C)C)C(=O)[C@]32C2(C(=O)c4c(C2=O)cccc4)[C@]3(C(=O)OCC)C(F)(F)F)cc1
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	13.5978 ± 0.0002 Å
b	14.619 ± 0.0002 Å
c	13.9308 ± 0.0002 Å
α	90°
β	117.095 ± 0.002°
γ	90°
Cell volume	2465.33 ± 0.08 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	7157797.cif
259464	2020-12-02	cif/ Adding structures of 7157797, 7157798 via cif-deposit CGI script.	7157797.cif