Crystallography Open Database

Information card for entry 2204560

2204559 << 2204560 >> 2204561

Preview

Coordinates	2204560.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-D-talono-1,5-lactam
Formula	C10 H17 N O6
Calculated formula	C10 H17 N O6
SMILES	N1C(=O)[C@@]2([C@H]([C@H]([C@H]1CO)O)OC(O2)(C)C)CO
Title of publication	5-Amino-5-deoxy-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-talono-1,5-lactam
Authors of publication	Ameijde, Jeroen van; Cowley, Andrew R.; Fleet, George W. J.; Nash, Robert J.; Iezzi Simone, Michela; Soengas, Raquel
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2140 - o2141
a	6.1266 ± 0.0002 Å
b	6.7254 ± 0.0002 Å
c	13.8419 ± 0.0005 Å
α	90°
β	99.6456 ± 0.0014°
γ	90°
Cell volume	562.28 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0334
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for all reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0343
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.0968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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