Information card for entry 1504505

Structure parameters

• Formula: C14 H24 B2 O4
• 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 ų
• 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