Information card for entry 7001287

Structure parameters

• Formula: C26 H30 N4 O2
• Calculated formula: C26 H30 N4 O2
• SMILES: c1(ccc2nc(CN(CCN(Cc3ccc4cc(ccc4n3)OC)C)C)ccc2c1)OC
• Title of publication: Bisquinoline-based fluorescent zinc sensors
• Authors of publication: Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3800 - 3806
• a: 12.095 ± 0.004 Å
• b: 6.324 ± 0.002 Å
• c: 16.131 ± 0.005 Å
• α: 90°
• β: 110.249 ± 0.0015°
• γ: 90°
• Cell volume: 1157.6 ± 0.6 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\/Ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No