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Information card for entry 1507130
Preview
Coordinates | 1507130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H39 B2 Cu F8 N7 O2 |
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Calculated formula | C39 H38 B2 Cu F8 N7 O2 |
SMILES | [Cu]1234([OH]C)[n]5c6c7n(c5c5ccccc5[N]51Cc1cccc8n(c([n]2c18)c1ccccc1[N]3(Cc6ccc7)Cc1[n]4c(ccc1)C5)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC |
Title of publication | Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand. |
Authors of publication | Fekner, Tomasz; Gallucci, Judith; Chan, Michael K. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 6 |
Pages of publication | 989 - 992 |
a | 11.595 ± 0.001 Å |
b | 16.922 ± 0.002 Å |
c | 19.919 ± 0.003 Å |
α | 90° |
β | 106.12 ± 0.01° |
γ | 90° |
Cell volume | 3754.7 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections | 0.1367 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Goodness-of-fit parameter for all reflections | 1.026 |
Goodness-of-fit parameter for significantly intense reflections | 1.045 |
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/1507130.html
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