Information card for entry 1568920

Structure parameters

• Formula: C28 H44 Br2 O3 S Si2
• Calculated formula: C28 H44 Br2 O3 S Si2
• Title of publication: Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.
• Authors of publication: Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5302 - 5308
• a: 14.2313 ± 0.0006 Å
• b: 9.2571 ± 0.0005 Å
• c: 26.487 ± 0.0009 Å
• α: 90°
• β: 96.271 ± 0.004°
• γ: 90°
• Cell volume: 3468.5 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No