Information card for entry 7233259

Structure parameters

• Formula: C20 H25 N3 O7
• Calculated formula: C20 H25 N3 O7
• Title of publication: Vinylpyrroles: solid-state structures and aggregation-induced emission properties
• Authors of publication: Okawara, Toru; Matsufuji, Yurina; Mizuno, Kouhei; Takehara, Kenji; Nagamura, Toshihiko; Iwasa, Seiji
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 40
• Pages of publication: 22817
• a: 17.799 ± 0.002 Å
• b: 5.2201 ± 0.0007 Å
• c: 21.974 ± 0.003 Å
• α: 90°
• β: 101.833 ± 0.013°
• γ: 90°
• Cell volume: 1998.3 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1443
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No