Information card for entry 7713954

Structure parameters

• Formula: C32 H25 N7 O2
• Calculated formula: C32 H25 N7 O2
• Title of publication: Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra
• Authors of publication: Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.3258 ± 0.0001 Å
• b: 13.2735 ± 0.0002 Å
• c: 13.4369 ± 0.0002 Å
• α: 64.991 ± 0.002°
• β: 86.277 ± 0.002°
• γ: 73.168 ± 0.001°
• Cell volume: 1285.23 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No