Information card for entry 7212912

Structure parameters

• Formula: C98.25 H36 N3 O1.5 S0.25
• Calculated formula: C98.25 H36 N3 O1.5 S0.25
• Title of publication: Synthesis and characterization of highly photoresponsive fullerenyl dyads with a close chromophore antenna-C(60) contact and effective photodynamic potential.
• Authors of publication: Chiang, Long Y.; Padmawar, Prashant A.; Rogers-Haley, Joy E; So, Grace; Canteenwala, Taizoon; Thota, Sammaiah; Tan, Loon-Seng; Pritzker, Kenneth; Huang, Ying-Ying; Sharma, Sulbha K.; Kurup, Divya Balachandran; Hamblin, Michael R.; Wilson, Brian; Urbas, Augustine
• Journal of publication: Journal of materials chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 5280 - 5293
• a: 22.008 ± 0.0002 Å
• b: 9.983 ± 0.0001 Å
• c: 28.178 ± 0.0003 Å
• α: 90°
• β: 93.433 ± 0.001°
• γ: 90°
• Cell volume: 6179.76 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1488
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections: 0.2336
• Weighted residual factors for significantly intense reflections: 0.1932
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No