Information card for entry 7007848

Structure parameters

• Common name: Cmpd2
• Formula: C20 H28 N2
• Calculated formula: C20 H28 N2
• SMILES: n1c2c([C@H]3CC[C@@]2(C3(C)C)C)nc2c1[C@@]1(CC[C@H]2C1(C)C)C
• Title of publication: Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.
• Authors of publication: Fitchett, Christopher M.; Steel, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 41
• Pages of publication: 4886 - 4888
• a: 10.7884 ± 0.0014 Å
• b: 10.7884 ± 0.0014 Å
• c: 14.867 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.4 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No