Information card for entry 2017517

Chemical name |
spiro[1,3-dioxane-2,3'-indolin]-2'-one |
Formula |
C11 H11 N O3 |
Calculated formula |
C11 H11 N O3 |
SMILES |
C1(=O)C2(c3c(cccc3)N1)OCCCO2 |
Title of publication |
Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib |
Authors of publication |
Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
2 |
Pages of publication |
o71 - o78 |
a |
9.5406 ± 0.0002 Å |
b |
8.4295 ± 0.0002 Å |
c |
12.4103 ± 0.0003 Å |
α |
90° |
β |
101.956 ± 0.002° |
γ |
90° |
Cell volume |
976.42 ± 0.04 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
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 |
0.048 |
Residual factor for significantly intense reflections |
0.0386 |
Weighted residual factors for significantly intense reflections |
0.0967 |
Weighted residual factors for all reflections included in the refinement |
0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
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/2017517.html