Information card for entry 7127657

Structure parameters

• Formula: C27.5 H17.5 B Cl7.5 N O2
• Calculated formula: C27.5 H17.501 B Cl7.503 N O2
• Title of publication: Complexation of 2,7-diazapyrene with boron for structural and electronic tuning.
• Authors of publication: Nakazato, Takumi; Shinokubo, Hiroshi; Miyake, Yoshihiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 327 - 330
• a: 9.5439 ± 0.0002 Å
• b: 10.6657 ± 0.0002 Å
• c: 14.8023 ± 0.0003 Å
• α: 86.851 ± 0.002°
• β: 73.687 ± 0.002°
• γ: 74.975 ± 0.002°
• Cell volume: 1396.4 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No