Crystallography Open Database

Information card for entry 1517402

Preview

Coordinates	1517402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.25 H21.5 Br Cl0.5 O4
Calculated formula	C24.25 H21 Br Cl0.5 O4
Title of publication	Silver-Catalyzed Domino Hydroarylation/Cycloisomerization Reactions of ortho-Alkynylbenzaldehydes: An Entry to Functionalized Isochromene Derivatives.
Authors of publication	Mariaule, Gaëlle; Newsome, Gregory; Toullec, Patrick Y.; Belmont, Philippe; Michelet, Véronique
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	17
Pages of publication	4570
a	11.2333 ± 0.0003 Å
b	13.7701 ± 0.0003 Å
c	15.8106 ± 0.0004 Å
α	115.076 ± 0.001°
β	103.332 ± 0.001°
γ	92.587 ± 0.001°
Cell volume	2126.93 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517402.cif
123149	2014-09-06	cif/ Updating files of 1517402 Original log message: Adding full bibliography for 1517402.cif.	1517402.cif
122230	2014-08-19	cif/ Adding structures of 1517402 via cif-deposit CGI script.	1517402.cif