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Information card for entry 7156149
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Coordinates | 7156149.cif |
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Original paper (by DOI) | HTML |
Chemical name | Dimethyl [(2,2-diphenyl-3,4-dihydro-2H-chromen-4-yl)methyl]malonate |
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Formula | C27 H26 O5 |
Calculated formula | C27 H26 O5 |
Title of publication | Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes. |
Authors of publication | Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 3897 - 3909 |
a | 11.9068 ± 0.0006 Å |
b | 10.5151 ± 0.0005 Å |
c | 18.2449 ± 0.0008 Å |
α | 90° |
β | 108.882 ± 0.001° |
γ | 90° |
Cell volume | 2161.36 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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