Information card for entry 7112339

Structure parameters

• Formula: C34.5 H29 Cl O2
• Calculated formula: C34.5 H29 Cl O2
• 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: 9.33039 ± 0.00018 Å
• b: 11.2433 ± 0.0004 Å
• c: 13.3555 ± 0.0003 Å
• α: 99.498 ± 0.002°
• β: 91.6021 ± 0.0019°
• γ: 107.191 ± 0.002°
• Cell volume: 1315.73 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No