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Information card for entry 4027250
Preview
Coordinates | 4027250.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 Cl O2 P |
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Calculated formula | C24 H24 Cl O2 P |
SMILES | ClCc1c(C(=C\C(O)(C)C)\P(=O)(c2ccccc2)c2ccccc2)cccc1 |
Title of publication | Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes |
Authors of publication | K. V. Sajna; K. C. Kumara Swamy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5345 - 5356 |
a | 17.5578 ± 0.0008 Å |
b | 8.6412 ± 0.0004 Å |
c | 28.8289 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4373.9 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
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/4027250.html
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