Crystallography Open Database

Information card for entry 2200850

2200849 << 2200850 >> 2200851

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Structure parameters

Chemical name	threo-2-(2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol
Formula	C19 H24 O7
Calculated formula	C19 H24 O7
SMILES	O(c1cc(ccc1OC)[C@@H](O)[C@H](Oc1c(OC)cccc1OC)CO)C.O(c1cc(ccc1OC)[C@H](O)[C@@H](Oc1c(OC)cccc1OC)CO)C
Title of publication	<i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol
Authors of publication	Langer, Vratislav; Lundquist, Knut; Stomberg, Rolf; von Unge, Sverker
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	o90 - o92
a	6.1632 ± 0.0002 Å
b	9.1891 ± 0.0003 Å
c	15.9231 ± 0.0005 Å
α	98.913 ± 0.001°
β	90.664 ± 0.001°
γ	97.328 ± 0.001°
Cell volume	883.17 ± 0.05 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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