Information card for entry 4027978

Structure parameters

• Formula: C17 H21 N O
• Calculated formula: C17 H21 N O
• SMILES: O=C(c1ccc2cc(N(C)C)ccc2c1)C(C)(C)C
• Title of publication: Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors
• Authors of publication: Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1784 - 1789
• a: 29.2377 ± 0.0006 Å
• b: 8.1211 ± 0.0002 Å
• c: 5.9432 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411.17 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No