Information card for entry 4122002

Structure parameters

• Formula: C92 H140 O14 Rb2 Si2
• Calculated formula: C92 H140 O14 Rb2 Si2
• Title of publication: Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.
• Authors of publication: Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 9181 - 9189
• a: 15.372 ± 0.005 Å
• b: 15.458 ± 0.005 Å
• c: 20.271 ± 0.006 Å
• α: 84.859 ± 0.004°
• β: 78.483 ± 0.004°
• γ: 75.506 ± 0.004°
• Cell volume: 4566 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1989
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No