Information card for entry 4350359

Structure parameters

• Common name: 1-(dimesitylboryl)-8-(1’-bora-9’-oxa-anthryl)-naphthalene
• Formula: C40 H36 B2 O
• Calculated formula: C40 H36 B2 O
• SMILES: B(c1cccc2cccc(B3c4ccccc4Oc4c3cccc4)c12)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Structural and electrochemical investigations of the high fluoride affinity of sterically hindered 1,8-bis(boryl)naphthalenes.
• Authors of publication: Melaïmi, Mohand; Solé, Stéphane; Chiu, Ching-Wen; Wang, Huadong; Gabbaï, François P
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8136 - 8143
• a: 16.058 ± 0.014 Å
• b: 10.799 ± 0.01 Å
• c: 17.637 ± 0.016 Å
• α: 90°
• β: 100.28 ± 0.016°
• γ: 90°
• Cell volume: 3009 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No