Crystallography Open Database

Information card for entry 2203225

2203224 << 2203225 >> 2203226

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Common name	D-Phynylglycinium nitrate
Chemical name	D-Phenylglycinium nitrate
Formula	C8 H10 N2 O5
Calculated formula	C8 H10 N2 O5
SMILES	C(=O)([C@@H](c1ccccc1)[NH3+])O.N(=O)(=O)[O-]
Title of publication	D-Phenylglycinium nitrate
Authors of publication	Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine
Journal of publication	Acta Crystallographica, Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o272 - o274
a	10.432 ± 0.0003 Å
b	5.645 ± 0.0002 Å
c	16.783 ± 0.0002 Å
α	90°
β	94.943 ± 0.003°
γ	90°
Cell volume	984.65 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0858
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	1100172
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.