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Information card for entry 7116050
Preview
Coordinates | 7116050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H29 Cl O3 |
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Calculated formula | C27 H29 Cl O3 |
SMILES | Cl[C@@H]1C[C@@H](O[C@@H](C1)CCc1ccc(OCc2ccccc2)cc1)c1ccc(OC)cc1.Cl[C@H]1C[C@H](O[C@H](C1)CCc1ccc(OCc2ccccc2)cc1)c1ccc(OC)cc1 |
Title of publication | 2-Arylcyclopropylmethanol as a substitute for homoallyl aryl alcohol in the construction of cis-2,6-disubstituted tetrahydropyran: synthesis of (+/-)-centrolobine |
Authors of publication | Veejendra K. Yadav; Ashish K. Verma; Piyush Kumar; Vijaykumar Hulikal |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 15457 |
a | 8.31 ± 0.006 Å |
b | 8.664 ± 0.006 Å |
c | 65.12 ± 0.04 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4688 ± 6 Å3 |
Cell temperature | 283 ± 2 K |
Ambient diffraction temperature | 283 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1715 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.1805 |
Weighted residual factors for all reflections included in the refinement | 0.2468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/7116050.html
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