Information card for entry 7050377

Structure parameters

• Formula: C21 H22 N2
• Calculated formula: C21 H22 N2
• Title of publication: Observation of a Non-Conventional Horner-Wadsworth-Emmons Olefination Product and the Effect of the Lateral Ethyl Substitution on its Solid State Fluorescence
• Authors of publication: Suresh Das; Shibu Abraham; Riju Davis; Nigam P. Rath
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 16.142 ± 0.0003 Å
• b: 18.9857 ± 0.0004 Å
• c: 11.1379 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3413.4 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No