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Information card for entry 1529467
Preview
Coordinates | 1529467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 N3 |
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Calculated formula | C18 H15 N3 |
SMILES | N(c1cc2ccc(cc2cc1)/C=C/C=C(C#N)C#N)(C)C |
Title of publication | Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease. |
Authors of publication | Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2015 |
Journal volume | 58 |
Journal issue | 17 |
Pages of publication | 6972 - 6983 |
a | 15.885 ± 0.004 Å |
b | 7.4464 ± 0.0016 Å |
c | 25.627 ± 0.006 Å |
α | 90° |
β | 104.762 ± 0.004° |
γ | 90° |
Cell volume | 2931.3 ± 1.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0948 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.1386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1529467.html
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