Information card for entry 7037647

Structure parameters

• Formula: C30 H28 N4
• Calculated formula: C30 H28 N4
• SMILES: c1(c2ccncc2)ccc(/C=N/C2CCC(/N=C/c3ccc(c4ccncc4)cc3)CC2)cc1
• Title of publication: Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation.
• Authors of publication: Cametti, Massimo; Bargigia, Ilaria; Martí-Rujas, Javier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1674 - 1678
• a: 10.4431 ± 0.0006 Å
• b: 16.6727 ± 0.0009 Å
• c: 14.0282 ± 0.0008 Å
• α: 90°
• β: 99.453 ± 0.004°
• γ: 90°
• Cell volume: 2409.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No