Information card for entry 7238554

Structure parameters

• Formula: C39 H29 N5 O
• Calculated formula: C39 H29 N5 O
• Title of publication: Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit
• Authors of publication: Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 2581
• a: 9.7301 ± 0.0009 Å
• b: 54.938 ± 0.005 Å
• c: 5.4824 ± 0.0005 Å
• α: 90°
• β: 92.879 ± 0.006°
• γ: 90°
• Cell volume: 2926.9 ± 0.5 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No