Crystallography Open Database

Information card for entry 4105661

Preview

Coordinates	4105661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.19 H32.47 N3 O0.547
Calculated formula	C34.192 H32.48 N3 O0.548
Title of publication	Redox-Neutral Indole Annulation Cascades
Authors of publication	Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2100 - 2103
a	12.8792 ± 0.0013 Å
b	13.1696 ± 0.0013 Å
c	16.6164 ± 0.0016 Å
α	86.739 ± 0.002°
β	88.301 ± 0.002°
γ	74.946 ± 0.002°
Cell volume	2716.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105661.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105661.cif
52422	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105661 via cif-deposit CGI script.	4105661.cif