Crystallography Open Database

Information card for entry 1504885

Preview

Coordinates	1504885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H24 N2 O2.5
Calculated formula	C25.51 H24.04 N2 O2.51
Title of publication	A sequential metal-catalyzed C-N bond formation in the synthesis of 2-amido-indoles.
Authors of publication	Yao, Pei-Yuan; Zhang, Yu; Hsung, Richard P.; Zhao, Kang
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	19
Pages of publication	4275 - 4278
a	19.314 ± 0.003 Å
b	19.314 ± 0.003 Å
c	10.066 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3251.9 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
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.	1504885.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504885.cif
42435	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504885 via cif-deposit CGI script.	1504885.cif