Crystallography Open Database

Information card for entry 7153259

Preview

Coordinates	7153259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N3 O5
Calculated formula	C19 H27 N3 O5
SMILES	O(C(=O)N[C@H](C(=O)ON1CC(=O)N([C@]1(C(C)C)C)C)Cc1ccccc1)C
Title of publication	MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.
Authors of publication	Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	4
Pages of publication	864 - 872
a	10.08 ± 0.003 Å
b	9.129 ± 0.004 Å
c	11.61 ± 0.003 Å
α	90°
β	112.49 ± 0.03°
γ	90°
Cell volume	987.1 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for all reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections	1.948
Goodness-of-fit parameter for all reflections included in the refinement	1.948
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7153259.cif
92564	2014-01-12	cif/ Adding structures of 7153258, 7153259 via cif-deposit CGI script.	7153259.cif