Information card for entry 2009177
Chemical name |
(Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron |
Formula |
C25 H17 B O4 |
Calculated formula |
C25 H17 B O4 |
SMILES |
O(C(=C\C(=O)c1ccccc1)/c1ccccc1)B1Oc2cc3ccccc3cc2O1 |
Title of publication |
(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron |
Authors of publication |
Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1999 |
Journal volume |
55 |
Journal issue |
11 |
Pages of publication |
IUC9900135 |
a |
7.108 ± 0.001 Å |
b |
25.795 ± 0.001 Å |
c |
10.69 ± 0.001 Å |
α |
90° |
β |
94.88 ± 0.01° |
γ |
90° |
Cell volume |
1952.9 ± 0.3 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.095 |
Residual factor for significantly intense reflections |
0.06 |
Weighted residual factors for all reflections included in the refinement |
0.18 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.014 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2009177.html