Crystallography Open Database

Information card for entry 1506058

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Structure parameters

Formula	C37 H41 N O2 Sn
Calculated formula	C37 H41 N O2 Sn
SMILES	[Sn]([C@H](/C=C(OC(=O)N(C(C)C)C(C)C)/C=C/c1ccccc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.
Authors of publication	Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	14
Pages of publication	3061 - 3064
a	11.065 ± 0.001 Å
b	13.713 ± 0.001 Å
c	11.397 ± 0.001 Å
α	90°
β	103.09 ± 0.01°
γ	90°
Cell volume	1684.4 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506058.cif
176729	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.	1506058.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506058.cif
47962	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506058 via cif-deposit CGI script.	1506058.cif