Crystallography Open Database

Information card for entry 2202569

2202568 << 2202569 >> 2202570

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2202569.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C7 H10 O5
Calculated formula	C7 H10 O5
SMILES	O1[C@]2([C@H]([C@H](O)[C@@H]2O)CC1=O)CO
Title of publication	(1<i>R</i>,5<i>R</i>,6<i>S</i>,7<i>R</i>)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one
Authors of publication	Blann, Kevin; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	10
Pages of publication	o1551 - o1553
a	11.532 ± 0.005 Å
b	11.532 ± 0.005 Å
c	5.328 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	613.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.