Information card for entry 7112338

Structure parameters

• Formula: C34 H28 O2
• Calculated formula: C34 H28 O2
• SMILES: OCCC#Cc1ccc(C(=C(\c2ccccc2)c2ccc(cc2)C#CCCO)\c2ccccc2)cc1
• Title of publication: Control of aggregation-induced emission by DNA hybridization.
• Authors of publication: Li, Shaoguang; Langenegger, Simon M.; Häner, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 52
• Pages of publication: 5835 - 5837
• a: 11.69544 ± 0.00018 Å
• b: 5.52783 ± 0.0001 Å
• c: 42.0817 ± 0.0007 Å
• α: 90°
• β: 103.306 ± 0.0016°
• γ: 90°
• Cell volume: 2647.56 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No