Information card for entry 7002456

Structure parameters

• Formula: C31 H37 N O
• Calculated formula: C31 H37 N O
• SMILES: Oc1c(c2c(cc1C(C)(C)C)cc(cc2)C(C)(C)C)c1nc(cc2ccccc12)C(C)(C)C
• Title of publication: Synthesis and structures of complexes with axially chiral isoquinolinyl-naphtholate ligands
• Authors of publication: Howard, Ruth H.; Alonso-Moreno, Carlos; Broomfield, Lewis M.; Hughes, David L.; Wright, Joseph A.; Bochmann, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8667 - 8682
• a: 25.055 ± 0.004 Å
• b: 12.368 ± 0.002 Å
• c: 17.991 ± 0.004 Å
• α: 90°
• β: 113.732 ± 0.013°
• γ: 90°
• Cell volume: 5103.6 ± 1.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2357
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No