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Information card for entry 1504724
Preview
Coordinates | 1504724.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1(10),4(10)-Di-n-hexyl-1,4(3,7)-diphenothiazinacyclophan-2,5-diene |
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Formula | C40 H42 N2 S2 |
Calculated formula | C40 H42 N2 S2 |
Title of publication | Phenothiazinophanes: synthesis, structure, and intramolecular electronic communication. |
Authors of publication | Memminger, Karin; Oeser, Thomas; Müller, Thomas J J |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 13 |
Pages of publication | 2797 - 2800 |
a | 10.0925 ± 0.0009 Å |
b | 13.932 ± 0.001 Å |
c | 11.781 ± 0.001 Å |
α | 90° |
β | 97.151 ± 0.002° |
γ | 90° |
Cell volume | 1643.6 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.1717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1504724.html
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