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Information card for entry 4026024
Preview
Coordinates | 4026024.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 O3 |
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Calculated formula | C26 H22 O3 |
SMILES | O=C(OCC)[C@H]1C(=C)[C@@]2(O[C@]1(c1ccccc21)c1ccccc1)c1ccccc1.O=C(OCC)[C@@H]1C(=C)[C@]2(O[C@@]1(c1ccccc21)c1ccccc1)c1ccccc1 |
Title of publication | Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene |
Authors of publication | K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 920 - 938 |
a | 9.315 ± 0.005 Å |
b | 10.467 ± 0.006 Å |
c | 11.211 ± 0.006 Å |
α | 76.848 ± 0.009° |
β | 76.187 ± 0.01° |
γ | 75.85 ± 0.01° |
Cell volume | 1012.5 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.1344 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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