Information card for entry 7239131

Structure parameters

• Formula: C22 H16 N0 O2 S
• Calculated formula: C22 H16 O2 S
• Title of publication: A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids
• Authors of publication: Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 19844
• a: 11.693 ± 0.002 Å
• b: 12.779 ± 0.002 Å
• c: 12.838 ± 0.002 Å
• α: 82.653 ± 0.006°
• β: 67.803 ± 0.005°
• γ: 73.719 ± 0.005°
• Cell volume: 1704.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1374
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No