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Information card for entry 7152364
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Coordinates | 7152364.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cone-5 |
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Formula | C54 H87 N3 O6 |
Calculated formula | C54 H87 N3 O6 |
Title of publication | Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine. |
Authors of publication | Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 23 |
Pages of publication | 4618 - 4626 |
a | 11.6724 ± 0.0011 Å |
b | 14.7955 ± 0.0009 Å |
c | 16.7566 ± 0.0018 Å |
α | 97.92 ± 0.007° |
β | 98.124 ± 0.008° |
γ | 105.744 ± 0.007° |
Cell volume | 2709.8 ± 0.4 Å3 |
Cell temperature | 293 ± 1 K |
Ambient diffraction temperature | 293 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7152364.html
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Users of the data should acknowledge the original authors of the
structural data.