Information card for entry 4023551

Structure parameters

• Common name: compound 1
• Chemical name: 4,5-dio-tolylanthracen-9(10H)-one
• Formula: C28 H22.3 N0.54 O
• Calculated formula: C27.999 H22.271 N0.542 O
• Title of publication: Stereodynamics and Conformational Chirality of the Atropisomers of Ditolyl Anthrones and Anthraquinone
• Authors of publication: Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5354 - 5359
• a: 7.5933 ± 0.001 Å
• b: 10.1784 ± 0.0013 Å
• c: 15.0517 ± 0.0019 Å
• α: 71.664 ± 0.002°
• β: 76.411 ± 0.002°
• γ: 72.426 ± 0.002°
• Cell volume: 1040 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No