Information card for entry 7244772

Structure parameters

• Formula: C34 H28 F3 N O6
• Calculated formula: C34 H28 F3 N O6
• Title of publication: Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions
• Authors of publication: Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.493 ± 0.0004 Å
• b: 13.8284 ± 0.001 Å
• c: 15.4815 ± 0.0013 Å
• α: 108.781 ± 0.007°
• β: 101.858 ± 0.006°
• γ: 105.672 ± 0.006°
• Cell volume: 1385 ± 0.2 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No