Crystallography Open Database

Information card for entry 1511915

1511914 << 1511915 >> 1511916

Preview

Coordinates	1511915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 N2 O
Calculated formula	C14 H20 N2 O
SMILES	N12N([C@@H]3[C@H](C1=O)[C@H]1CC[C@@H]3C1)[C@H]1[C@@H](C2)CCC1.N12N([C@H]3[C@@H](C1=O)[C@@H]1CC[C@H]3C1)[C@@H]1[C@H](C2)CCC1
Title of publication	Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.
Authors of publication	Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1890 - 1893
a	6.484 ± 0.0013 Å
b	9.9421 ± 0.0019 Å
c	9.963 ± 0.002 Å
α	85.839 ± 0.013°
β	72.127 ± 0.012°
γ	80.358 ± 0.012°
Cell volume	602.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1089
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	1511915.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	1511915.cif
85804	2013-05-07	cif/ Adding structures of 1511915 via cif-deposit CGI script.	1511915.cif