Crystallography Open Database

Information card for entry 4038112

Preview

Coordinates	4038112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 Cl O2
Calculated formula	C23 H15 Cl O2
SMILES	c1cc(ccc1/C=C/C(=C1/c2ccccc2OC1=O)c1ccccc1)Cl
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	9.7179 ± 0.0009 Å
b	12.4696 ± 0.0012 Å
c	7.5883 ± 0.0008 Å
α	90°
β	106.874 ± 0.005°
γ	90°
Cell volume	879.95 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4038112.cif
249711	2020-03-26	cif/ Adding structures of 4038109, 4038110, 4038111, 4038112, 4038113 via cif-deposit CGI script.	4038112.cif