Information card for entry 7112367

Structure parameters

• Formula: C25 H27 B O
• Calculated formula: C25 H27 B O
• SMILES: B(c1ccc(cc1)C=O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Dual emissive borane-BODIPY dyads: molecular conformation control over electronic properties and fluorescence response towards fluoride ions.
• Authors of publication: Swamy, Chinna Ayya P.; Mukherjee, Sanjoy; Thilagar, Pakkirisamy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 993 - 995
• a: 8.506 ± 0.019 Å
• b: 11.56 ± 0.03 Å
• c: 11.58 ± 0.03 Å
• α: 83.27 ± 0.04°
• β: 88.36 ± 0.04°
• γ: 76.94 ± 0.04°
• Cell volume: 1102 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1717
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108796
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No