Information card for entry 1558027

Structure parameters

• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: c1ncc(cn1)[C@H]1[C@H](c2ccccc2)[C@H](c2cncnc2)[C@H]1c1ccccc1
• Title of publication: Rotation of a helical coordination polymer by mechanical grinding.
• Authors of publication: Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 46
• Pages of publication: 6289 - 6292
• a: 10.4634 ± 0.0005 Å
• b: 8.3919 ± 0.0004 Å
• c: 10.5935 ± 0.0006 Å
• α: 90°
• β: 98.999 ± 0.002°
• γ: 90°
• Cell volume: 918.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No