Crystallography Open Database

Information card for entry 7150580

Preview

Coordinates	7150580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 Cl N
Calculated formula	C17 H24 Cl N
SMILES	[NH+]1([C@H]2CCCC=C2CCC1)[C@H](C)c1ccccc1.[Cl-]
Title of publication	Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Authors of publication	Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	5
Pages of publication	986 - 995
a	16.115 ± 0.002 Å
b	10.4898 ± 0.0013 Å
c	10.9685 ± 0.0014 Å
α	90°
β	121.095 ± 0.003°
γ	90°
Cell volume	1587.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7150580.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150580.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150580.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150580.cif