Information card for entry 7101854
Common name |
(S,aR)-1b |
Chemical name |
(S,aR)-1b |
Formula |
C19 H21 N O4 |
Calculated formula |
C19 H21 N O4 |
SMILES |
c1(c(ccc2ccccc12)OCC)C(=O)N1CCC[C@H]1C(=O)OC |
Title of publication |
Diastereoselective photocycloaddition using memory effect of molecular chirality controlled by crystallization. |
Authors of publication |
Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Hasegawa, Yasuhiro; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2007 |
Journal issue |
16 |
Pages of publication |
1632 - 1634 |
a |
7.6654 ± 0.0005 Å |
b |
12.799 ± 0.0008 Å |
c |
9.0881 ± 0.0006 Å |
α |
90° |
β |
99.486 ± 0.001° |
γ |
90° |
Cell volume |
879.44 ± 0.1 Å3 |
Cell temperature |
298 K |
Ambient diffraction temperature |
298 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 |
0.0493 |
Residual factor for significantly intense reflections |
0.0445 |
Weighted residual factors for significantly intense reflections |
0.1048 |
Weighted residual factors for all reflections included in the refinement |
0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.496 |
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/7101854.html