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Information card for entry 4023207
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Coordinates | 4023207.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 2-H+ |
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Chemical name | (3R*,5S*,7aR*,9aS*)-3,5-di(4-methoxyphenyl)perhydrocyclopenta[ij] quinolizine trifluoroacetate |
Formula | C56 H65 F9 N2 O10 |
Calculated formula | C56 H65 F9 N2 O10 |
Title of publication | Chair to Boat Interconversion and Face to Face Interactions in Isomeric Aryl-Substituted Perhydrocyclopentaquinolizines |
Authors of publication | Lodovico Lunazzi; Andrea Mazzanti; Shaik Rafi; H. Surya Prakash Rao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 678 - 688 |
a | 11.3651 ± 0.001 Å |
b | 16.3126 ± 0.0014 Å |
c | 17.2329 ± 0.0015 Å |
α | 110.303 ± 0.001° |
β | 98.652 ± 0.001° |
γ | 107.659 ± 0.001° |
Cell volume | 2735.8 ± 0.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1354 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.2 |
Weighted residual factors for all reflections included in the refinement | 0.2462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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