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Information card for entry 4028016
Preview
Coordinates | 4028016.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (26IO)4 |
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Formula | C48 H28 N12 O8 |
Calculated formula | C48 H28 N12 O8 |
SMILES | C1(=O)N(C(=O)c2cc(C(=O)N(C(=O)c3cc(C(=O)N(C(=O)c4cc(C(=O)N(C(=O)c5cc1ccc5)c1ncccn1)ccc4)c1ncccn1)ccc3)c1ncccn1)ccc2)c1ncccn1 |
Title of publication | Trezimides and Tennimides: New Imide-Based Macrocycles |
Authors of publication | Pavle Mocilac; John F. Gallagher |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2355 - 2361 |
a | 15.9127 ± 0.0003 Å |
b | 15.9127 ± 0.0003 Å |
c | 19.3896 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4909.72 ± 0.18 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 4 |
Space group number | 114 |
Hermann-Mauguin space group symbol | P -4 21 c |
Hall space group symbol | P -4 2n |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028016.html
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