Information card for entry 4508528

Structure parameters

• Common name: β-naphthoxy-boronsubphthalocyanine
• Chemical name: (2-naphthoxy)(subphthalocyaninato)boron
• Formula: C34 H19 B N6 O
• Calculated formula: C34 H19 B N6 O
• Title of publication: Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements
• Authors of publication: Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5368
• a: 17.1461 ± 0.0008 Å
• b: 13.9303 ± 0.0004 Å
• c: 10.3758 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2478.26 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No