Information card for entry 7135456

Structure parameters

• Chemical name: 2,4-difluorophenylboronic acid catechol ester adduct of 4,4,'-azopyridine benzene solvate
• Formula: C40 H28 B2 F4 N4 O4
• Calculated formula: C40 H28 B2 F4 N4 O4
• Title of publication: Rotisserie-like motion enables guest transport in a nonporous organic crystal involving a diboron host.
• Authors of publication: Campillo-Alvarado, Gonzalo; Vargas-Olvera, Eva C; Swenson, Dale C.; Morales-Rojas, Hugo; Höpfl, Herbert; MacGillivray, Leonard R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 15
• Pages of publication: 4519 - 4522
• a: 7.5341 ± 0.0008 Å
• b: 14.4259 ± 0.0014 Å
• c: 16.8748 ± 0.0017 Å
• α: 90°
• β: 92.484 ± 0.005°
• γ: 90°
• Cell volume: 1832.3 ± 0.3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• 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: 0.1749
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No