Information card for entry 7159963

Structure parameters

• Formula: C28 H30 N4 O3
• Calculated formula: C28 H30 N4 O3
• Title of publication: Quinoxaline-based azamacrocycles: synthesis, AIE behavior and acidochromism.
• Authors of publication: Kharlamova, Alisa D.; Ermakova, Elizaveta V.; Abel, Anton S.; Gontcharenko, Victoria E.; Cheprakov, Andrei V.; Averin, Alexei D.; Beletskaya, Irina P.; Andraud, Chantal; Bretonnière, Yann; Bessmertnykh-Lemeune, Alla
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 25
• Pages of publication: 5181 - 5192
• a: 13.6697 ± 0.0005 Å
• b: 10.2676 ± 0.0004 Å
• c: 18.2714 ± 0.0007 Å
• α: 90°
• β: 109.391 ± 0.001°
• γ: 90°
• Cell volume: 2419.01 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0746
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No