Information card for entry 2014912
Chemical name
2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone
Formula
C16 H16 O4
Calculated formula
C16 H16 O4
SMILES
c1(cc(ccc1)OC)CCC(=O)c1c(O)cc(O)cc1
Title of publication
2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions
Authors of publication
Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek
Journal of publication
Acta Crystallographica Section C
Year of publication
2005
Journal volume
61
Journal issue
6
Pages of publication
o386 - o389
a
7.3074 ± 0.0009 Å
b
22.968 ± 0.003 Å
c
7.8343 ± 0.0009 Å
α
90°
β
91.972 ± 0.01°
γ
90°
Cell volume
1314.1 ± 0.3 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
3
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0589
Residual factor for significantly intense reflections
0.0399
Weighted residual factors for significantly intense reflections
0.0822
Weighted residual factors for all reflections included in the refinement
0.0909
Goodness-of-fit parameter for all reflections included in the refinement
1.031
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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https://www.crystallography.net/2014912.html