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Information card for entry 1504505
Preview
Coordinates | 1504505.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H24 B2 O4 |
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Calculated formula | C14 H24 B2 O4 |
SMILES | B1(C#CB2OC(C(C)(C)O2)(C)C)OC(C(C)(C)O1)(C)C |
Title of publication | Synthesis of water-soluble poly(p-phenyleneethynylene) in neat water under aerobic conditions via Suzuki-Miyaura polycondensation using a diborylethyne synthon. |
Authors of publication | Kang, Youn K.; Deria, Pravas; Carroll, Patrick J.; Therien, Michael J. |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 7 |
Pages of publication | 1341 - 1344 |
a | 11.9801 ± 0.0015 Å |
b | 12.2674 ± 0.0015 Å |
c | 12.5151 ± 0.0015 Å |
α | 88.469 ± 0.006° |
β | 88.44 ± 0.006° |
γ | 62.6 ± 0.004° |
Cell volume | 1632.1 ± 0.4 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections | 0.2204 |
Weighted residual factors for significantly intense reflections | 0.2139 |
Goodness-of-fit parameter for all reflections | 1.19 |
Goodness-of-fit parameter for significantly intense reflections | 1.197 |
Diffraction radiation wavelength | 0.71069 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/1504505.html
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