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Information card for entry 4517045
Preview
Coordinates | 4517045.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H48 N2 O4 |
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Calculated formula | C34 H48 N2 O4 |
SMILES | C1(CCCCCCCCCCC1)N1C(=O)c2c(C1=O)cc1C(=O)N(C3CCCCCCCCCCC3)C(=O)c1c2 |
Title of publication | Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide |
Authors of publication | Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 5908 |
a | 19.5309 ± 0.0007 Å |
b | 10.1243 ± 0.0004 Å |
c | 17.5617 ± 0.0006 Å |
α | 90° |
β | 121.951 ± 0.001° |
γ | 90° |
Cell volume | 2946.5 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0621 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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