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Information card for entry 4032612
Preview
Coordinates | 4032612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H24 O5 |
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Calculated formula | C36 H24 O5 |
SMILES | O1[C@@]2([C@H]3[C@@H]([C@]1(c1c2cccc1)c1ccccc1)C1=C3CC2=C(C1)C(=O)c1c(O)ccc(O)c1C2=O)c1ccccc1 |
Title of publication | Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes. |
Authors of publication | Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 14 |
Pages of publication | 7470 - 7480 |
a | 10.6484 ± 0.0004 Å |
b | 33.8001 ± 0.0013 Å |
c | 7.8681 ± 0.0003 Å |
α | 90° |
β | 109.035 ± 0.0014° |
γ | 90° |
Cell volume | 2677.01 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032612.html
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