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Information card for entry 4108359
Preview
Coordinates | 4108359.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H37 B N4 O |
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Calculated formula | C48 H37 B N4 O |
SMILES | c12ccc3=C(c4ccc5C(=c6ccc(=C1c1ccccc1)n6[B]([n]23)(n45)OC)c1ccccc1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1 |
Title of publication | meso-(4-(N,N-Dialkylamino)phenyl)-Substituted Subporphyrins: Remarkably Perturbed Absorption Spectra and Enhanced Fluorescence by Intramolecular Charge Transfer Interactions |
Authors of publication | Yasuhide Inokuma; Shanmugam Easwaramoorthi; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12234 - 12235 |
a | 10.433 ± 0.004 Å |
b | 11.79 ± 0.005 Å |
c | 14.866 ± 0.007 Å |
α | 81.444 ± 0.016° |
β | 82.486 ± 0.018° |
γ | 76.746 ± 0.014° |
Cell volume | 1751.2 ± 1.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0879 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71075 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/4108359.html
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