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Information card for entry 7029524
Preview
Coordinates | 7029524.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TC1' |
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Formula | C37 H30 N4 O2 |
Calculated formula | C37 H30 N4 O2 |
SMILES | [nH]1c2ccc1c1nc(cc1)=C(c1ccc(C(=c3[nH]c(cc3)=c3nc(cc3)C2(C)C)c2ccccc2)o1)c1ccccc1.O |
Title of publication | Stable core-modified calixsmaragdyrins: synthesis, structure and specific sensing of the hydrogen sulfate ion. |
Authors of publication | Chatterjee, Tamal; Ghosh, Avijit; Madhu, Sheri; Ravikanth, Mangalampalli |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 16 |
Pages of publication | 6050 - 6058 |
a | 23.5396 ± 0.0004 Å |
b | 23.5396 ± 0.0004 Å |
c | 9.9876 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5534.26 ± 0.17 Å3 |
Cell temperature | 100.4 ± 0.2 K |
Ambient diffraction temperature | 100.4 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.0605 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.7107 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/7029524.html
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