Crystallography Open Database

Information card for entry 1504755

Preview

Coordinates	1504755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 N O P Sn
Calculated formula	C29 H32 N O P Sn
SMILES	P(=O)(N([C@@H]([Sn](C)(C)C)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.
Authors of publication	Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	15
Pages of publication	3195 - 3198
a	11.524 ± 0.0001 Å
b	9.198 ± 0.0001 Å
c	13.4063 ± 0.0001 Å
α	90°
β	94.931 ± 0.001°
γ	90°
Cell volume	1415.78 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1504755.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504755.cif
42340	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504755 via cif-deposit CGI script.	1504755.cif