Crystallography Open Database

Information card for entry 7209206

7209205 << 7209206 >> 7209207

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Coordinates	7209206.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid
Chemical name	(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid
Formula	C14 H21 N O7
Calculated formula	C14 H21 N O7
SMILES	C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.[C@H]([C@H](C)[NH2+]C)(c1ccccc1)O
Title of publication	Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate
Authors of publication	Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	1853
a	18.8281 ± 0.000026 Å
b	7.19429 ± 0.000018 Å
c	5.73035 ± 0.000014 Å
α	90°
β	95.9613 ± 0.0001°
γ	90°
Cell volume	772.006 ± 0.003 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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
Goodness-of-fit parameter for all reflections	1.874
Method of determination	powder diffraction
Diffraction radiation wavelength	0.826146 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209206.cif
75532	2013-03-10	cif/ Adding structures of 7209206 via cif-deposit CGI script.	7209206.cif