Information card for entry 4518098

Structure parameters

• Chemical name: (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecin-18-yldiazene
• Formula: C32 H46 N2 O12
• Calculated formula: C32 H46 N2 O12
• Title of publication: Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships
• Authors of publication: Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 20.838 ± 0.005 Å
• b: 9.193 ± 0.002 Å
• c: 8.4373 ± 0.0019 Å
• α: 90°
• β: 95.134 ± 0.005°
• γ: 90°
• Cell volume: 1609.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1231
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No