Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159066
Preview

Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7159066.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H36 O5 S2 |
---|---|
Calculated formula | C40 H36 O5 S2 |
SMILES | S(=O)(=O)(c1ccc(C)cc1)[C@]12c3ccccc3[C@H]3[C@@H]([C@H]3[C@@H]2[C@@H]1c1ccccc1CS(=O)(=O)c1ccc(cc1)C)c1ccc(OC)cc1.S(=O)(=O)(c1ccc(C)cc1)[C@@]12c3ccccc3[C@@H]3[C@H]([C@@H]3[C@H]2[C@H]1c1ccccc1CS(=O)(=O)c1ccc(cc1)C)c1ccc(OC)cc1 |
Title of publication | Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins. |
Authors of publication | Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 6 |
Pages of publication | 1206 - 1221 |
a | 10.1215 ± 0.0003 Å |
b | 12.73 ± 0.0003 Å |
c | 13.7066 ± 0.0004 Å |
α | 76 ± 0.002° |
β | 76.377 ± 0.003° |
γ | 83.538 ± 0.002° |
Cell volume | 1662.49 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
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/7159066.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.