Information card for entry 7153140

Structure parameters

• Formula: C26 H24 N2 S2
• Calculated formula: C26 H24 N2 S2
• SMILES: C1CCc2ccc3CCCN(C(=S)c4ccccc4)c3c2N1C(=S)c1ccccc1
• Title of publication: Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.
• Authors of publication: Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 7522 - 7529
• a: 12.197 ± 0.002 Å
• b: 13.572 ± 0.003 Å
• c: 13.886 ± 0.003 Å
• α: 90°
• β: 110.67 ± 0.03°
• γ: 90°
• Cell volume: 2150.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No