Information card for entry 2010938

Structure parameters

• Formula: C28 H22 N2 O3 V
• Calculated formula: C28 H22 N2 O3 V
• SMILES: [V]123(=O)Oc4ccccc4C=[N]2[C@@H](c2ccccc2)[C@H]([N]3=Cc2ccccc2O1)c1ccccc1
• Title of publication: The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)
• Authors of publication: Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e188 - e189
• a: 17.671 ± 0.006 Å
• b: 21.635 ± 0.007 Å
• c: 12.565 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4804 ± 3 ų
• Cell temperature: 297 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes