Crystallography Open Database

Information card for entry 1513145

Preview

Coordinates	1513145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 O
Calculated formula	C24 H18 O
SMILES	c1ccccc1C1=C(c2c(C1)cccc2)[C@@H]1C(=O)c2ccccc2C1
Title of publication	Two-Component, Three-Molecule Reactions between 2,3-Dihydroinden-1-ones and Aryl Chlorides Catalyzed by anN-Heterocyclic Carbene‒Palladium(II)‒1-Methylimidazole Complex
Authors of publication	Yin, Hui-Ying; Liu, Meng-Yuan; Shao, Li-Xiong
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	6042
a	7.9684 ± 0.0017 Å
b	11.671 ± 0.002 Å
c	18.419 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1713 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2471
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513145.cif
91723	2013-12-13	cif/ Adding structures of 1513145 via cif-deposit CGI script.	1513145.cif