Information card for entry 4322762

Structure parameters

• Formula: C28 H40 N4 O2
• Calculated formula: C28 H40 N4 O2
• Title of publication: Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation
• Authors of publication: Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2158 - 2165
• a: 15.487 ± 0.002 Å
• b: 8.1988 ± 0.0006 Å
• c: 20.958 ± 0.003 Å
• α: 90°
• β: 95.922 ± 0.012°
• γ: 90°
• Cell volume: 2646.9 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No