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Information card for entry 4037718
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4037718.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H18 O2 S2 |
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Calculated formula | C26 H18 O2 S2 |
SMILES | S(c1cc2c(cc1)ccc1ccc3ccc4ccc(SC(=O)C)cc4c3c21)C(=O)C |
Title of publication | Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives. |
Authors of publication | Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 1 |
Pages of publication | 248 - 276 |
a | 21.4937 ± 0.0008 Å |
b | 9.3227 ± 0.0004 Å |
c | 21.3572 ± 0.0009 Å |
α | 90° |
β | 104.637 ± 0.002° |
γ | 90° |
Cell volume | 4140.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0521 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0935 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037718.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.