Information card for entry 7110783

Structure parameters

• Formula: C27 H28 O5 S4
• Calculated formula: C27 H27.216 O5 S4
• Title of publication: Crown-annelated 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives: a new efficient transducer in the electrochemical and spectroscopic monitoring of metal complexation
• Authors of publication: Bryce, Martin R.; Batsanov, Andrei S.; Finn, Terry; Hansen, Thomas K.; Howard, Judith A. K.; Kamenjicki, Marta; Lednev, Igor K.; Asher, Sanford A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 295
• a: 7.6 ± 0.001 Å
• b: 18.395 ± 0.001 Å
• c: 18.566 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2595.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.0743
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No