Information card for entry 4027586

Structure parameters

• Chemical name: 7-phenylanthra[2,3-d]benzo[b]thiophene
• Formula: C26 H16 S
• Calculated formula: C26 H16 S
• Title of publication: Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates
• Authors of publication: Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9053 - 9071
• a: 9.0328 ± 0.0006 Å
• b: 10.9285 ± 0.0008 Å
• c: 11.0232 ± 0.0008 Å
• α: 105.619 ± 0.004°
• β: 95.63 ± 0.004°
• γ: 111.055 ± 0.004°
• Cell volume: 954.75 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.3673
• Weighted residual factors for all reflections included in the refinement: 0.3877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No