Crystallography Open Database

Information card for entry 7206209

7206208 << 7206209 >> 7206210

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Structure parameters

Formula	C22 H25 N O3
Calculated formula	C22 H25 N O3
SMILES	O=C([O-])[C@@](OC)(C)c1cccc2ccccc12.[NH3+][C@H](C)c1ccccc1
Title of publication	Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid
Authors of publication	Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	14
Pages of publication	4536
a	11.3857 ± 0.0009 Å
b	6.7698 ± 0.0003 Å
c	12.7237 ± 0.0009 Å
α	90°
β	103.73 ± 0.003°
γ	90°
Cell volume	952.7 ± 0.11 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123 ± 2 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 significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7206209.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206209.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206209.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206209.cif
23575	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206208, 7206209 via cif-deposit CGI script.	7206209.cif