Information card for entry 7129762

Structure parameters

• Formula: C22 H22 N2 O2
• Calculated formula: C22 H22 N2 O2
• Title of publication: Tuning the aromatic backbone twist in dipyrrolonaphthyridinediones
• Authors of publication: Sadowski, Bartłomiej; Mierzwa, Dominik; Kang, Seongsoo; Grzybowski, Marek; Poronik, Yevgen M.; Sobolewski, Andrzej L.; Kim, Dongho; Gryko, Daniel T.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.4752 ± 0.0002 Å
• b: 13.0433 ± 0.0004 Å
• c: 14.6294 ± 0.0004 Å
• α: 90°
• β: 102.573 ± 0.002°
• γ: 90°
• Cell volume: 1764.66 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No