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Information card for entry 7153328
Preview
Coordinates | 7153328.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H25 N O2 |
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Calculated formula | C33 H25 N O2 |
SMILES | N1(C(=O)C23c4c(c5ccccc5C2C2(C1=O)C3c1c(cccc1)c1c2cccc1)cccc4)CCC |
Title of publication | Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives. |
Authors of publication | Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 9 |
Pages of publication | 2174 - 2179 |
a | 12.4729 ± 0.0012 Å |
b | 13.3772 ± 0.0013 Å |
c | 13.8882 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2317.3 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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