Information card for entry 7125442

Structure parameters

• Formula: C28 H34 O4
• Calculated formula: C28 H34 O4
• Title of publication: Splitting and reorientation of π-conjugation by an unprecedented photo-rearrangement reaction.
• Authors of publication: Inaba, Yuya; Yoneda, Tomoki; Kitagawa, Yuichi; Miyata, Kiyoshi; Hasegawa, Yasuchika; Inokuma, Yasuhide
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 348 - 351
• a: 8.6894 ± 0.0004 Å
• b: 5.8144 ± 0.0003 Å
• c: 23.4264 ± 0.0012 Å
• α: 90°
• β: 99.837 ± 0.005°
• γ: 90°
• Cell volume: 1166.19 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.085
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No