Information card for entry 7102541
Common name |
1,5,6-tricarbomethoxy-3-methoxyazulene |
Chemical name |
1,5,6-tricarbomethoxy-3-methoxyazulene |
Formula |
C17 H16 O7 |
Calculated formula |
C17 H16 O7 |
SMILES |
C1(C(=O)OC)=CC(OC)=C2C=C(C(=O)OC)C(=CC=C12)C(=O)OC |
Title of publication |
A novel azulene synthesis from the Ramirez ylide involving two different modes of its reaction with activated alkynes. |
Authors of publication |
Higham, Lee J; Kelly, P Gabriel; Corr, David M; Müller-Bunz, Helge; Walker, Brian J; Gilheany, Declan G |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2004 |
Journal issue |
6 |
Pages of publication |
684 - 685 |
a |
7.3017 ± 0.0007 Å |
b |
19.2542 ± 0.0018 Å |
c |
11.094 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1559.7 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0418 |
Residual factor for significantly intense reflections |
0.0376 |
Weighted residual factors for significantly intense reflections |
0.0887 |
Weighted residual factors for all reflections included in the refinement |
0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.135 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7102541.html