Crystallography Open Database

Information card for entry 7026964

Preview

Coordinates	7026964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 Sn
Calculated formula	C22 H22 N2 Sn
SMILES	[Sn]1N(c2c(N1[C@H](C)c1ccccc1)cccc2)[C@H](C)c1ccccc1
Title of publication	Sterically demanding and chiral N,N'-disubstituted N-heterocyclic germylenes and stannylenes.
Authors of publication	Dickschat, Julia V.; Urban, Slawomir; Pape, Tania; Glorius, Frank; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	48
Pages of publication	11519 - 11521
a	7.8101 ± 0.0005 Å
b	9.2801 ± 0.0006 Å
c	26.2554 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1903 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179975 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/69.	7026964.cif
93659	2014-01-13	cif/ Adding structures of 7026963, 7026964 via cif-deposit CGI script.	7026964.cif