Crystallography Open Database

Information card for entry 1507731

Preview

Coordinates	1507731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cl N3 O2 S
Calculated formula	C34 H26 Cl N3 O2 S
Title of publication	Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.
Authors of publication	Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	2790 - 2793
a	9.394 ± 0.006 Å
b	16.031 ± 0.01 Å
c	21.988 ± 0.013 Å
α	73.431 ± 0.009°
β	87.436 ± 0.009°
γ	82.031 ± 0.009°
Cell volume	3143 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	0.821
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.	1507731.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507731.cif
59820	2012-06-13	cif/ Adding structures of 1507731 via cif-deposit CGI script.	1507731.cif