Crystallography Open Database

Information card for entry 7112865

Preview

Coordinates	7112865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H88 Cl3 N3 O3
Calculated formula	C112 H88 Cl3 N3 O3
Title of publication	Palladium catalyzed synthesis of highly substituted naphthalenes via direct ring construction from amides with alkynes.
Authors of publication	Wu, Junliang; Cui, Xiuling; Mi, Xia; Li, Ying; Wu, Yangjie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	36
Pages of publication	6771 - 6773
a	14.7772 ± 0.001 Å
b	15.6258 ± 0.0011 Å
c	20.3531 ± 0.0012 Å
α	101.132 ± 0.006°
β	96.957 ± 0.005°
γ	102.181 ± 0.006°
Cell volume	4442.7 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.14
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112865.cif
112130	2014-04-29	cif/ Adding structures of 7112865 via cif-deposit CGI script.	7112865.cif