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Information card for entry 4036791
Preview
Coordinates | 4036791.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H75.4 Cl6 N9 O9.2 |
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Calculated formula | C36 H70.634 Cl6 N9 O9.201 |
Title of publication | From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding. |
Authors of publication | Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5285 - 5294 |
a | 11.81 ± 0.004 Å |
b | 12.323 ± 0.005 Å |
c | 18.403 ± 0.008 Å |
α | 102.45 ± 0.04° |
β | 102.42 ± 0.03° |
γ | 96.33 ± 0.03° |
Cell volume | 2519.4 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1122 |
Residual factor for significantly intense reflections | 0.0696 |
Weighted residual factors for significantly intense reflections | 0.204 |
Weighted residual factors for all reflections included in the refinement | 0.2174 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/4036791.html
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