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Information card for entry 4036676
Preview
Coordinates | 4036676.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47.26 H14.26 F18 N4.45 O3 |
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Calculated formula | C47.2535 H14.2535 F18 N4.4507 O3 |
Title of publication | Chromene-Annulated Bacteriochlorins. |
Authors of publication | Hyland, Michael A.; Hewage, Nisansala; Panther, Kimberly; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Samaraweera, Milinda; Gascon, José A; Brückner, Christian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3603 - 3618 |
a | 10.372 ± 0.003 Å |
b | 13.12 ± 0.003 Å |
c | 15.398 ± 0.004 Å |
α | 85.798 ± 0.006° |
β | 72.706 ± 0.007° |
γ | 78.441 ± 0.006° |
Cell volume | 1959.9 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1767 |
Residual factor for significantly intense reflections | 0.0721 |
Weighted residual factors for significantly intense reflections | 0.1584 |
Weighted residual factors for all reflections included in the refinement | 0.1992 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036676.html
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