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Information card for entry 4038453
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Coordinates | 4038453.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H43 N3 O S |
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Calculated formula | C49 H43 N3 O S |
Title of publication | Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion. |
Authors of publication | Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 13.926 ± 0.003 Å |
b | 14.889 ± 0.003 Å |
c | 18.825 ± 0.003 Å |
α | 90° |
β | 95.369 ± 0.006° |
γ | 90° |
Cell volume | 3886.1 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1641 |
Residual factor for significantly intense reflections | 0.0765 |
Weighted residual factors for significantly intense reflections | 0.1589 |
Weighted residual factors for all reflections included in the refinement | 0.2029 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4038453.html
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