Information card for entry 7052875

Structure parameters

• Formula: C37 H28 N4 O
• Calculated formula: C37 H28 N4 O
• SMILES: Oc1c(cc(cc1c1nc(c([nH]1)c1ccccc1)c1ccccc1)C)c1[nH]c(c(n1)c1ccccc1)c1ccccc1
• Title of publication: Electronic/substituents influence on imidazole ring donor‒acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks
• Authors of publication: Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 891
• a: 14.181 ± 0.003 Å
• b: 12.54 ± 0.003 Å
• c: 16.598 ± 0.003 Å
• α: 90°
• β: 107.48 ± 0.03°
• γ: 90°
• Cell volume: 2815.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No