Information card for entry 1502771

Structure parameters

• Formula: C25 H18 B N O
• Calculated formula: C25 H18 B N O
• SMILES: c1(ccccc1)[B]1(c2ccccc2)[n]2cccc3ccc4cccc(c4c23)O1
• Title of publication: Synthesis of π-Conjugated Polymers Containing Organoboron Benzo[h]quinolate in the Main Chain
• Authors of publication: Tokoro, Yuichiro; Nagai, Atsushi; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 6229
• a: 8.9304 ± 0.0013 Å
• b: 10.2803 ± 0.0015 Å
• c: 10.9208 ± 0.0018 Å
• α: 107.466 ± 0.004°
• β: 90.523 ± 0.004°
• γ: 104.484 ± 0.003°
• Cell volume: 922.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No