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Information card for entry 7133659
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7133659.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3,3-dimethyl-1,5,7-trioxadispiro[5.1.58.26]pentadeca-9,12,14-trien-11-one |
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Formula | C28 H32 O8 |
Calculated formula | C28 H32 O8 |
Title of publication | Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion. |
Authors of publication | Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 88 |
Pages of publication | 12860 - 12863 |
a | 27.5396 ± 0.0008 Å |
b | 5.7677 ± 0.0001 Å |
c | 20.9082 ± 0.0006 Å |
α | 90° |
β | 129.818 ± 0.002° |
γ | 90° |
Cell volume | 2550.85 ± 0.14 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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