Crystallography Open Database

Information card for entry 4027772

Preview

Coordinates	4027772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2 O3
Calculated formula	C15 H12 N2 O3
Title of publication	A Raney-Cobalt-Mediated Tandem Reductive Cyclization Route to the 1,5-Methanoazocino[4,3-b]indole Framework of the Uleine and Strychnos Alkaloids
Authors of publication	Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	10773 - 10781
a	40.6397 ± 0.0006 Å
b	7.7179 ± 0.0001 Å
c	17.0144 ± 0.0002 Å
α	90°
β	97.5888 ± 0.0008°
γ	90°
Cell volume	5289.88 ± 0.12 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for all reflections	0.1107
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	0.9898
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
178456 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/77.	4027772.cif
81858	2013-04-17	cif/ Adding structures of 4027772 via cif-deposit CGI script.	4027772.cif