Information card for entry 7204416

Structure parameters

• Formula: C158 H158 N34 O45
• Calculated formula: C53 H52 N11 O15
• Title of publication: A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics
• Authors of publication: Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2237
• a: 16.63 ± 0.05 Å
• b: 16.63 ± 0.06 Å
• c: 16 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3832 ± 19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 2.903
• Goodness-of-fit parameter for significantly intense reflections: 2.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No