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Information card for entry 1545328
Preview
Coordinates | 1545328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 N O2 |
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Calculated formula | C25 H25 N O2 |
SMILES | o1c2c(c3cc4c5c(oc4nc13)ccc(c5)C(C)(C)C)cc(cc2)C(C)(C)C |
Title of publication | Construction of Bisbenzofuro[2,3-b:3',2'-e]pyridines by Palladium-Catalyzed Double Intramolecular Oxidative C-H/C-H Coupling. |
Authors of publication | Kaida, Hiroyuki; Goya, Tsuyoshi; Nishii, Yuji; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 5 |
Pages of publication | 1236 - 1239 |
a | 9.1592 ± 0.0018 Å |
b | 6.7731 ± 0.0012 Å |
c | 16.695 ± 0.003 Å |
α | 90° |
β | 100.414 ± 0.009° |
γ | 90° |
Cell volume | 1018.6 ± 0.3 Å3 |
Cell temperature | 273 K |
Ambient diffraction temperature | 273 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1337 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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