Information card for entry 7117575

Structure parameters

• Formula: C30 H28 N4
• Calculated formula: C30 H28 N4
• SMILES: C(=N\C1CCC(/N=C/c2ccc(c3cccnc3)cc2)CC1)/c1ccc(c2cccnc2)cc1
• Title of publication: Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.
• Authors of publication: Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12357 - 12360
• a: 5.599 ± 0.0004 Å
• b: 7.1074 ± 0.0005 Å
• c: 16.1003 ± 0.0011 Å
• α: 92.646 ± 0.004°
• β: 98.583 ± 0.004°
• γ: 112.049 ± 0.003°
• Cell volume: 583.53 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No