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Information card for entry 4022330
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Coordinates | 4022330.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1S,1'S,2R,2'R,4S,4'S,5R,5'R)-4,4'-bis[2-methyl-3,6-dioxabicyclo[3.2.1] octan-7-one] |
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Formula | C14 H18 O6 |
Calculated formula | C14 H18 O6 |
Title of publication | C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol |
Authors of publication | Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2003 |
Journal volume | 68 |
Pages of publication | 2437 - 2447 |
a | 6.3172 ± 0.0006 Å |
b | 13.184 ± 0.002 Å |
c | 16.313 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1358.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1578 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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