Information card for entry 7203858
Formula
C22 H36 N2 O7
Calculated formula
C22 H36 N2 O7
SMILES
O=C([O-])[C@H]1C([C@@H]1C=C(C)C)(C)C.O[C@@H]([C@H]([NH+](C)C)CO)c1ccc(N(=O)=O)cc1.OC
Title of publication
Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol
Authors of publication
Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér
Journal of publication
Journal of the Chemical Society, Perkin Transactions 2
Year of publication
2000
Journal issue
1
Pages of publication
149
a
13.209 ± 0.018 Å
b
26.587 ± 0.021 Å
c
7.218 ± 0.021 Å
α
90°
β
90°
γ
90°
Cell volume
2535 ± 8 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
4
Space group number
19
Hermann-Mauguin space group symbol
P 21 21 21
Hall space group symbol
P 2ac 2ab
Residual factor for all reflections
0.3433
Residual factor for significantly intense reflections
0.0628
Weighted residual factors for all reflections
0.2161
Weighted residual factors for significantly intense reflections
0.1021
Goodness-of-fit parameter for all reflections
1.094
Goodness-of-fit parameter for significantly intense reflections
1.416
Diffraction radiation wavelength
1.54178 Å
Diffraction radiation type
CuKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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https://www.crystallography.net/7203858.html