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Information card for entry 4513130
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Coordinates | 4513130.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H28 N2 O4 |
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Calculated formula | C24 H28 N2 O4 |
SMILES | c12ccccc2c(c2c(c1NC(=O)OC(C)(C)C)cccc2)NC(=O)OC(C)(C)C |
Title of publication | Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State |
Authors of publication | Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 2291 |
a | 25.558 ± 0.002 Å |
b | 5.7536 ± 0.0006 Å |
c | 18.2559 ± 0.0018 Å |
α | 90° |
β | 125.043 ± 0.001° |
γ | 90° |
Cell volume | 2197.9 ± 0.4 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0428 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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