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Information card for entry 7225752
Preview
Coordinates | 7225752.cif |
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Original paper (by DOI) | HTML |
Chemical name | (3S,3aS,6aR,8aR,8bR,11aR,12aR)-3,10,10-trimethyl-3a,4,5,6,8b,11a-hexahydro-3H indeno[4'',3a'':3',4']furo[2',3':4,5]furo[2,3-d][1,3]dioxol-7(8aH)-one |
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Formula | C17 H22 O5 |
Calculated formula | C17 H22 O5 |
SMILES | O1[C@H]2O[C@@]34[C@@]5([C@H]([C@H](C=C3)C)CCC5)C(=O)O[C@@H]4[C@H]2OC1(C)C |
Title of publication | Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation |
Authors of publication | Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 8.3984 ± 0.0008 Å |
b | 43.043 ± 0.004 Å |
c | 9.1804 ± 0.0009 Å |
α | 90° |
β | 104.838 ± 0.002° |
γ | 90° |
Cell volume | 3208 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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