Crystallography Open Database

Information card for entry 2203223

2203222 << 2203223 >> 2203224

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2203223.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C11 H15 N O5
Calculated formula	C11 H15 N O5
Title of publication	(<i>S</i>)-Alanine–(<i>S</i>)-mandelic acid (1/1)
Authors of publication	Zi-Qiang Hu; Duan-Jun Xu; Yuan-Zhi Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o269 - o271
a	17.795 ± 0.004 Å
b	5.394 ± 0.002 Å
c	12.431 ± 0.002 Å
α	90°
β	100.65 ± 0.01°
γ	90°
Cell volume	1172.7 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

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