Information card for entry 7153145

Structure parameters

• Formula: C44 H42 N O4 Se
• Calculated formula: C44 H42 N O4 Se
• 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: 16.458 ± 0.003 Å
• b: 9.484 ± 0.002 Å
• c: 23.761 ± 0.005 Å
• α: 90°
• β: 103.26 ± 0.03°
• γ: 90°
• Cell volume: 3609.9 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No