Information card for entry 7246944

Structure parameters

• Formula: C42 H26 N2 O4
• Calculated formula: C42 H26 N2 O4
• Title of publication: Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene.
• Authors of publication: Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 29
• Pages of publication: 19562 - 19575
• a: 25.526 ± 0.006 Å
• b: 5.3037 ± 0.0018 Å
• c: 23.743 ± 0.006 Å
• α: 90°
• β: 116.39 ± 0.009°
• γ: 90°
• Cell volume: 2879.4 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1677
• 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: No
• Has Fobs: No