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Information card for entry 4503859
Preview
Coordinates | 4503859.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 F2 N2 O2 |
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Calculated formula | C28 H24 F2 N2 O2 |
SMILES | c1(ccc(C(=O)N(C)c2c(N(C(=O)c3ccc(cc3)F)C)cccc2)cc1)F.c1ccccc1 |
Title of publication | Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition |
Authors of publication | Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 10 |
Pages of publication | 3871 |
a | 12.804 ± 0.0012 Å |
b | 8.9673 ± 0.0008 Å |
c | 21.308 ± 0.002 Å |
α | 90° |
β | 104.445 ± 0.001° |
γ | 90° |
Cell volume | 2369.2 ± 0.4 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0567 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4503859.html
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Users of the data should acknowledge the original authors of the
structural data.