Information card for entry 7110217

Structure parameters

• Formula: C22 H19 N O4 Zn
• Calculated formula: C22 H19 N O4 Zn
• Title of publication: Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds
• Authors of publication: Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 451
• a: 8.2441 ± 0.001 Å
• b: 11.3889 ± 0.0013 Å
• c: 11.8203 ± 0.0015 Å
• α: 67.142 ± 0.005°
• β: 72.808 ± 0.005°
• γ: 77.218 ± 0.005°
• Cell volume: 969.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No