Crystallography Open Database

Information card for entry 1504919

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Structure parameters

Formula	C22 H20 F3 N O2
Calculated formula	C22 H20 F3 N O2
SMILES	FC(F)(F)[C@@](OC)(c1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1
Title of publication	(1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.
Authors of publication	Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4669 - 4672
a	12.333 ± 0.003 Å
b	16.695 ± 0.004 Å
c	18.865 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3884.3 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1438
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	0.732
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.	1504919.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.	1504919.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504919.cif
42462	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504919 via cif-deposit CGI script.	1504919.cif