Information card for entry 4024778

Structure parameters

• Formula: C39 H36 Cl3 I
• Calculated formula: C39 H36 Cl3 I
• Title of publication: A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne
• Authors of publication: Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6311 - 6314
• a: 9.6718 ± 0.0003 Å
• b: 10.2182 ± 0.0003 Å
• c: 19.3697 ± 0.0007 Å
• α: 99.513 ± 0.002°
• β: 94.431 ± 0.002°
• γ: 116.986 ± 0.002°
• Cell volume: 1656.95 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No