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Information card for entry 7152608
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Coordinates | 7152608.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ritmc04 |
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Formula | C15 H16 O5 |
Calculated formula | C15 H16 O5 |
SMILES | o1c(OC)c(c(c1c1ccc(OC)cc1)C)C(=O)OC |
Title of publication | Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates. |
Authors of publication | Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 37 |
Pages of publication | 7483 - 7486 |
a | 8.0488 ± 0.0008 Å |
b | 12.3096 ± 0.0012 Å |
c | 14.1598 ± 0.0014 Å |
α | 104.845 ± 0.002° |
β | 101.999 ± 0.002° |
γ | 92.355 ± 0.002° |
Cell volume | 1319.8 ± 0.2 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1102 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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