Information card for entry 4515441

Structure parameters

• Formula: C30 H32 O6
• Calculated formula: C30 H32 O6
• SMILES: c1c(OC)c(Cc2cccc3c2cccc3Cc2c(cc(OC)cc2OC)OC)c(OC)cc1OC
• Title of publication: Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.
• Authors of publication: Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 998 - 1003
• a: 5.1831 ± 0.0006 Å
• b: 16.4627 ± 0.0019 Å
• c: 14.3407 ± 0.0016 Å
• α: 90°
• β: 91.332 ± 0.002°
• γ: 90°
• Cell volume: 1223.3 ± 0.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 3
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No