Information card for entry 2215166

Structure parameters

• Chemical name: 2,2'-[1,1'-(Propane-2,2-diyldiimino)diethylidene]diphenol
• Formula: C21 H30 N2 O2
• Calculated formula: C21 H30 N2 O2
• SMILES: Oc1ccccc1[C@@H](NCC(C)(C)CN[C@H](C)c1ccccc1O)C.Oc1ccccc1[C@H](NCC(C)(C)CN[C@@H](C)c1ccccc1O)C
• Title of publication: 2,2'-[1,1'-(Propane-2,2-diyldiimino)diethylidene]diphenol
• Authors of publication: Şahin, Ertan; Bilgiç, Rauf; Kenar, Adnan; Atakol, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3770 - o3770
• a: 11.4232 ± 0.0003 Å
• b: 10.1303 ± 0.0003 Å
• c: 18.4399 ± 0.0004 Å
• α: 90 ± 0.005°
• β: 107.753 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2032.26 ± 0.11 ų
• Cell temperature: 298 ± 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 significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes