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Information card for entry 4023006
Preview
Coordinates | 4023006.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C109.32 H138.08 Cl2 F4 N14 O12 P2 |
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Calculated formula | C105 H126 Cl2 F4 N14 O12 P2 |
Title of publication | Synthesis of Urea Picket Porphyrins and Their Use in the Elucidation of the Role Buried Solvent Plays in the Selectivity and Stoichiometry of Anion Binding Receptors |
Authors of publication | Kenichi Calderon-Kawasaki; Sumith Kularatne; Yue Hu Li; Bruce C. Noll; W. Robert Scheidt; Dennis H. Burns |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 9081 - 9087 |
a | 49.4376 ± 0.0011 Å |
b | 15.8172 ± 0.0004 Å |
c | 27.3399 ± 0.0006 Å |
α | 90° |
β | 91.361 ± 0.001° |
γ | 90° |
Cell volume | 21372.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1427 |
Weighted residual factors for all reflections included in the refinement | 0.1519 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation probe | x-ray |
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/4023006.html
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