Information card for entry 7035255

Structure parameters

• Formula: C15 H16 N2 O
• Calculated formula: C15 H16 N2 O
• SMILES: Oc1c(/C=N/CCNc2ccccc2)cccc1
• Title of publication: X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.
• Authors of publication: Ghosh, Abhijit; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11797 - 11804
• a: 12.7337 ± 0.0003 Å
• b: 11.5202 ± 0.0003 Å
• c: 9.2042 ± 0.0002 Å
• α: 90°
• β: 100.339 ± 0.0011°
• γ: 90°
• Cell volume: 1328.28 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No