Information card for entry 7038402

Structure parameters

• Chemical name: 4,5-bis(N,N-dimethylaminemethylene)acridine hydrochloride
• Formula: C20 H29 Cl2 N3 O
• Calculated formula: C20 H29 Cl2 N3 O
• SMILES: [Cl-].[Cl-].OC.n1c2c(cccc2cc2cccc(c12)C[NH+](C)C)C[NH+](C)C
• Title of publication: Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.
• Authors of publication: Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5689 - 5699
• a: 16.7 ± 0.003 Å
• b: 11.503 ± 0.002 Å
• c: 10.836 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2081.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0193
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No