Crystallography Open Database

Information card for entry 4038110

Preview

Coordinates	4038110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O3
Calculated formula	C21 H19 N O3
SMILES	c1cccc2c1/C(=C(/C=C/C(=O)OCC)\c1ccccc1)C(=O)N2C
Title of publication	Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.
Authors of publication	Parveen, Naziya; Sekar, Govindasamy
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	7
Pages of publication	4682 - 4694
a	20.5819 ± 0.0009 Å
b	12.8776 ± 0.0005 Å
c	13.9465 ± 0.0006 Å
α	90°
β	102.536 ± 0.0017°
γ	90°
Cell volume	3608.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
250109 (current)	2020-04-04	cif/ Updating files of 4038109, 4038110, 4038111, 4038112, 4038113 Original log message: Adding full bibliography for 4038109--4038113.cif.	4038110.cif
249711	2020-03-26	cif/ Adding structures of 4038109, 4038110, 4038111, 4038112, 4038113 via cif-deposit CGI script.	4038110.cif