Information card for entry 2104633

Structure parameters

• Formula: C33 H23 N O
• Calculated formula: C33 H23 N O
• SMILES: Oc1ccc2c(c1c1cccc3c1c(ccc3)N=C(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge-density study on (±)-8'-benzhydrylideneamino-1,1'-binaphthyl-2-ol
• Authors of publication: Farrugia, Louis J.; Kočovský, Pavel; Senn, Hans Martin; Vyskočil, Štěpán
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 757 - 769
• a: 11.1055 ± 0.0001 Å
• b: 11.6712 ± 0.0001 Å
• c: 18.0627 ± 0.0001 Å
• α: 90°
• β: 102.675 ± 0.0003°
• γ: 90°
• Cell volume: 2284.13 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.768
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes