Information card for entry 4518099

Structure parameters

• Chemical name: complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2-bromoethylammonium bromide
• Formula: C48 H102 Br16 N10 O12
• Calculated formula: C48 H102 Br16 N10 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: 16.5989 ± 0.0006 Å
• b: 8.1632 ± 0.0003 Å
• c: 28.6162 ± 0.0011 Å
• α: 90°
• β: 92.816 ± 0.004°
• γ: 90°
• Cell volume: 3872.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No