Information card for entry 2211991
Chemical name |
(2R,3aS,8aR)-2-(4-Methoxyphenyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazole |
Formula |
C17 H17 N O2 |
Calculated formula |
C17 H17 N O2 |
SMILES |
O1[C@@H](N[C@@H]2[C@H]1Cc1c2cccc1)c1ccc(OC)cc1 |
Title of publication |
(2<i>R</i>,3a<i>S</i>,8a<i>R</i>)-2-(4-Methoxyphenyl)-3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>]oxazole |
Authors of publication |
Uchida, Akira; Hattori, Tetsutaro; Yamaura, Masanori |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o420 - o421 |
a |
9.6402 ± 0.0011 Å |
b |
5.5377 ± 0.0006 Å |
c |
12.5743 ± 0.0015 Å |
α |
90° |
β |
101.163 ± 0.002° |
γ |
90° |
Cell volume |
658.57 ± 0.13 Å3 |
Cell temperature |
90 ± 1 K |
Ambient diffraction temperature |
90 ± 1 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0399 |
Residual factor for significantly intense reflections |
0.0324 |
Weighted residual factors for significantly intense reflections |
0.0739 |
Weighted residual factors for all reflections included in the refinement |
0.0778 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2211991.html