Information card for entry 7245583

Structure parameters

• Formula: C25 H21 N3 O
• Calculated formula: C25 H21 N3 O
• SMILES: C1(=C\C=C\c2ccc(cc2)N(CC)CC)\C(=O)c2ccccc2C1=C(C#N)C#N
• Title of publication: Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties
• Authors of publication: Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 27766 - 27774
• a: 14.66 ± 0.003 Å
• b: 8.79 ± 0.0018 Å
• c: 16.19 ± 0.003 Å
• α: 90°
• β: 99.29 ± 0.03°
• γ: 90°
• Cell volume: 2058.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No