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Information card for entry 1507048
Preview
Coordinates | 1507048.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]-dotriaconta-1,3,9,11,16,18,24,26-octaene-31,32-dione acetonitrile dichloromethane solvate |
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Formula | C91.5 H86 Cl3 N O12 |
Calculated formula | C91.5 H83 Cl3 N O12 |
Title of publication | A new family of macrocycles produced by sequential Claisen-Schmidt condensations. |
Authors of publication | Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 19 |
Pages of publication | 3257 - 3259 |
a | 18.0398 ± 0.0005 Å |
b | 8.829 ± 0.0005 Å |
c | 25.0282 ± 0.0002 Å |
α | 90° |
β | 107.302 ± 0.003° |
γ | 90° |
Cell volume | 3805.9 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2822 |
Residual factor for significantly intense reflections | 0.1016 |
Weighted residual factors for significantly intense reflections | 0.2066 |
Weighted residual factors for all reflections included in the refinement | 0.2711 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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