Information card for entry 7125420

Structure parameters

• Formula: C26 H28 B10 O2
• Calculated formula: C26 H28 B10 O2
• SMILES: Oc1ccc(cc1)c1ccc(cc1)[C]1234[C]567(c8ccc(c9ccc(O)cc9)cc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671
• Title of publication: Film-based fluorescence sensing: a "chemical nose" for nicotine.
• Authors of publication: Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 84
• Pages of publication: 12679 - 12682
• a: 20.3497 ± 0.0007 Å
• b: 11.0447 ± 0.0003 Å
• c: 28.6138 ± 0.0009 Å
• α: 90°
• β: 110.692 ± 0.002°
• γ: 90°
• Cell volume: 6016.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.29
• Residual factor for significantly intense reflections: 0.2351
• Weighted residual factors for significantly intense reflections: 0.5474
• Weighted residual factors for all reflections included in the refinement: 0.5766
• Goodness-of-fit parameter for all reflections included in the refinement: 2.211
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No