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Information card for entry 4026088
Preview
Coordinates | 4026088.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | 1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 7,24-dicyano-13,18-dioxatridecacyclo [14.10.2.1^5,8^.1^11,14^.1^17,20^.1^23,26^ .0^2,15^.0^5,14^.0^7,12^.0^17,26^.0^19,24^.0^29,30^.0^31,32^] dotriaconta-3,27-diene-6,25-dione |
Formula | C32 H26 N2 O4 |
Calculated formula | C32 H26 N2 O4 |
SMILES | O1[C@]23[C@H]4[C@@H]5[C@]67O[C@@H]8[C@@]9(C#N)[C@@H]%10[C@H]([C@]6([C@@H](C=C5)[C@H]4C=C[C@@]43[C@H]3[C@H]5[C@](C#N)([C@@H]1[C@H](CC5)[C@@H]23)C4=O)C9=O)[C@H]7[C@H]8CC%10.O1[C@@]23[C@@H]4[C@H]5[C@@]67O[C@H]8[C@]9(C#N)[C@H]%10[C@@H]([C@@]6([C@H](C=C5)[C@@H]4C=C[C@]43[C@@H]3[C@@H]5[C@@](C#N)([C@H]1[C@@H](CC5)[C@H]23)C4=O)C9=O)[C@@H]7[C@@H]8CC%10 |
Title of publication | Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series |
Authors of publication | Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 1319 - 1332 |
a | 11.275 ± 0.015 Å |
b | 8.505 ± 0.011 Å |
c | 27.54 ± 0.04 Å |
α | 90° |
β | 92.525 ± 0.014° |
γ | 90° |
Cell volume | 2638 ± 6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.134 |
Residual factor for significantly intense reflections | 0.1237 |
Weighted residual factors for significantly intense reflections | 0.4063 |
Weighted residual factors for all reflections included in the refinement | 0.429 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.065 |
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/4026088.html
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