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Information card for entry 4031093
Preview
Coordinates | 4031093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H47 Br6 Cl2 N3 |
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Calculated formula | C54 H47 Br6 Cl2 N3 |
SMILES | ClCc1c(Br)cc2c3cc(Br)c(/C=C\c4c(Br)cc5c6cc(Br)c(/C=C\c7c(Br)cc8c9cc(Br)c(CCl)cc9n(c8c7)CCCC)cc6n(c5c4)CCCC)cc3n(c2c1)CCCC |
Title of publication | Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes. |
Authors of publication | Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 12 |
Pages of publication | 6300 - 6312 |
a | 11.184 ± 0.004 Å |
b | 14.37 ± 0.006 Å |
c | 16.37 ± 0.006 Å |
α | 85.38 ± 0.05° |
β | 88 ± 0.04° |
γ | 73.02 ± 0.05° |
Cell volume | 2507.8 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1649 |
Residual factor for significantly intense reflections | 0.1069 |
Weighted residual factors for significantly intense reflections | 0.2428 |
Weighted residual factors for all reflections included in the refinement | 0.2696 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4031093.html
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