Crystallography Open Database

Information card for entry 4038113

Preview

Coordinates	4038113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N O4
Calculated formula	C27 H25 N O4
SMILES	c12ccccc1C(=C(\C=C/c1cc(c(c(c1)OC)OC)OC)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	8.1334 ± 0.0003 Å
b	31.8582 ± 0.0016 Å
c	9.231 ± 0.0005 Å
α	90°
β	110.33 ± 0.002°
γ	90°
Cell volume	2242.9 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4038113.cif
249711	2020-03-26	cif/ Adding structures of 4038109, 4038110, 4038111, 4038112, 4038113 via cif-deposit CGI script.	4038113.cif