Information card for entry 2234299

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate
• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• SMILES: Oc1c(/C=N/c2cc3cccnc3c3ncccc23)cccc1.OC
• Title of publication: 2-[(<i>E</i>)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate
• Authors of publication: Öztürk Yíldírím, Sema; Demirhan, Nebahat; Elmalí, Fikriye; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1173 - o1174
• a: 11.9398 ± 0.0012 Å
• b: 4.668 ± 0.0005 Å
• c: 14.7818 ± 0.0018 Å
• α: 90°
• β: 101.961 ± 0.011°
• γ: 90°
• Cell volume: 805.98 ± 0.16 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0407
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes