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Information card for entry 4026083
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Coordinates | 4026083.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | 1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-(1,3-dioxolan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one |
Formula | C27 H25 N O4 |
Calculated formula | C27 H25 N O4 |
SMILES | N#C[C@]12C(=O)[C@]34[C@H]([C@H]5C(=C[C@@H]([C@@]63O[C@H]1[C@@H]1CC[C@H]2[C@H]4[C@H]61)C5)c1ccccc1)C1OCCO1.N#C[C@@]12C(=O)[C@@]34[C@@H]([C@@H]5C(=C[C@H]([C@]63O[C@@H]1[C@H]1CC[C@@H]2[C@@H]4[C@@H]61)C5)c1ccccc1)C1OCCO1 |
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 | 9.8224 ± 0.0002 Å |
b | 14.3488 ± 0.0003 Å |
c | 15.5494 ± 0.0003 Å |
α | 90° |
β | 106.005 ± 0.001° |
γ | 90° |
Cell volume | 2106.58 ± 0.07 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0537 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1651 |
Weighted residual factors for all reflections included in the refinement | 0.1926 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.752 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026083.html
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