Information card for entry 1561313
Chemical name |
(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one |
Formula |
C19 H18 O3 |
Calculated formula |
C19 H18 O3 |
SMILES |
O(c1cc(ccc1OC)/C=C\1C(=O)c2c(CC1)cccc2)C |
Title of publication |
(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one |
Authors of publication |
Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G. |
Journal of publication |
IUCrData |
Year of publication |
2021 |
Journal volume |
6 |
Journal issue |
3 |
Pages of publication |
x210309 |
a |
7.9229 ± 0.0015 Å |
b |
9.4474 ± 0.0019 Å |
c |
20.875 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1562.5 ± 0.5 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
3 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0769 |
Residual factor for significantly intense reflections |
0.0566 |
Weighted residual factors for significantly intense reflections |
0.1515 |
Weighted residual factors for all reflections included in the refinement |
0.18 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
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/1561313.html