Information card for entry 7245580

Structure parameters

• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: c1(cc(c(N(C)C)c(c1)C)C)C=C1C(=O)c2c(C1=O)cccc2
• 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: 8.187 ± 0.003 Å
• b: 9.949 ± 0.003 Å
• c: 10.504 ± 0.003 Å
• α: 76.646 ± 0.006°
• β: 82.523 ± 0.006°
• γ: 75.163 ± 0.006°
• Cell volume: 802.4 ± 0.4 ų
• Cell temperature: 570 ± 2 K
• Ambient diffraction temperature: 570 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1853
• 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: No
• Has Fobs: No