Information card for entry 4131517

Structure parameters

• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O=C1C(=C1c1ccccc1OC)c1ccc(OC)cc1.O
• Title of publication: Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.
• Authors of publication: Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10649 - 10652
• a: 14.764 ± 0.003 Å
• b: 23.997 ± 0.005 Å
• c: 4.0296 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1427.7 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No