Information card for entry 1502032

Structure parameters

• Formula: C32 H31 B
• Calculated formula: C32 H31 B
• SMILES: Cc1cc(c(c(c1)C)B(c1c(C#Cc2ccccc2)cccc1)c1c(cc(C)cc1C)C)C
• Title of publication: Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.
• Authors of publication: Sun, Christina; Lu, Jiasheng; Wang, Suning
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1226 - 1229
• a: 9.3686 ± 0.0014 Å
• b: 12.1651 ± 0.0018 Å
• c: 12.2768 ± 0.0018 Å
• α: 65.465 ± 0.002°
• β: 81.937 ± 0.002°
• γ: 81.928 ± 0.002°
• Cell volume: 1255 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No