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Information card for entry 1503289
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Coordinates | 1503289.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H56 Br Cl4 N9 |
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Calculated formula | C50 H46 Br Cl4 N9 |
SMILES | [Br-].ClCCl.ClCCl.[nH+]1c2n(c3nc(n(c4nc(n(c1cc(N1CCCC1)c2)c1ccc(cc1)C)cc(N1CCCC1)c4)c1ccc(cc1)C)cc(N1CCCC1)c3)c1ccc(cc1)C |
Title of publication | Synthesis, characterization, and catalytic reactivity of a highly basic macrotricyclic aminopyridine. |
Authors of publication | Uchida, Natsuko; Taketoshi, Ayako; Kuwabara, Junpei; Yamamoto, Toshihide; Inoue, Yoshiaki; Watanabe, Yu; Kanbara, Takaki |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 22 |
Pages of publication | 5242 - 5245 |
a | 10.3682 ± 0.0014 Å |
b | 16.537 ± 0.002 Å |
c | 28.698 ± 0.004 Å |
α | 90° |
β | 90.958 ± 0.002° |
γ | 90° |
Cell volume | 4919.8 ± 1.1 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.3464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.361 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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