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Information card for entry 1502987
Preview
Coordinates | 1502987.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H40 Mo2 N4 O8 S8 |
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Calculated formula | C52 H40 Mo2 N4 O8 S8 |
SMILES | [Mo]1([n]2ccc(cc2)C(=C2SC(=C(S2)C)C)C(c2cc[n]([Mo]([n]3ccc(cc3)C(=C3SC(=C(S3)C)C)C(c3cc[n]1cc3)=C1SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O])cc2)=C1SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle. |
Authors of publication | Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 2386 - 2389 |
a | 18.067 ± 0.004 Å |
b | 19.602 ± 0.004 Å |
c | 24.107 ± 0.004 Å |
α | 90° |
β | 105.061 ± 0.005° |
γ | 90° |
Cell volume | 8244 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0909 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502987.html
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Users of the data should acknowledge the original authors of the
structural data.