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Information card for entry 4037717
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4037717.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C143 H121 Cl2 O13 |
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Calculated formula | C143 H121 Cl2 O13 |
SMILES | Clc1ccc2ccc3O[C@@H](c4c(c(c5COc6cc7OCc8c(c(c9COc%10cc%11OCc%12c(c(c%13COc%14cc%15OCc%16c(c(c%17[C@H](Oc%18ccc%19ccc(Cl)cc%19c%18c%17c%16c%15cc%14c%13c%12c%11cc%10c9c8c7cc6c5c4c3c2c1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)C.C(=O)(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)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 | 13.575 ± 0.0007 Å |
b | 20.2391 ± 0.0011 Å |
c | 20.8569 ± 0.0011 Å |
α | 90° |
β | 90.607 ± 0.002° |
γ | 90° |
Cell volume | 5730 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4037717.html
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