Crystallography Open Database

Information card for entry 1506469

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Structure parameters

Formula	C24 H20 O4
Calculated formula	C24 H20 O4
SMILES	O=C(OC)c1cc(c(c(c1)c1ccccc1)C(=C)C(=O)OC)c1ccccc1
Title of publication	Pd-catalyzed one-pot multicomponent coupling reaction for the highly regioselective synthesis of polysubstituted benzenes.
Authors of publication	Xi, Chanjuan; Chen, Chao; Lin, Jie; Hong, Xiaoyin
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	2
Pages of publication	347 - 349
a	9.0452 ± 0.0012 Å
b	10.6117 ± 0.0018 Å
c	11.2674 ± 0.0018 Å
α	67.639 ± 0.012°
β	79.657 ± 0.013°
γ	84.959 ± 0.013°
Cell volume	983.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506469.cif
176729	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.	1506469.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506469.cif
50339	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506469 via cif-deposit CGI script.	1506469.cif