Information card for entry 7114249

Structure parameters

• Formula: C34 H18 Cl6 N4
• Calculated formula: C36 H16 Cl5.3246 N4
• Title of publication: Dibenzoeilatin: a novel ligand exhibiting remarkable complementary ??????? stacking interactionsElectronic supplementary information (ESI) available: experimental preparations and full identification of compounds. See http://www.rsc.org/suppdata/cc/b2/b206058b/
• Authors of publication: Bergman, Sheba D.; Reshef, Dvora; Groysman, Stanislav; Goldberg, Israel; Kol, Moshe
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2374
• a: 7.46 ± 0.0002 Å
• b: 19.732 ± 0.0005 Å
• c: 9.944 ± 0.0002 Å
• α: 90°
• β: 101.567 ± 0.0015°
• γ: 90°
• Cell volume: 1434.04 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No