Information card for entry 1550738

Structure parameters

• Formula: C41 H26 N13 O5
• Calculated formula: C41 H26 N13 O5
• Title of publication: Synthesis and photophysical properties of pyridyl conjugated triazole appended naphthalenediimide derivatives.
• Authors of publication: Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Patra, Ranjan; Kirandeep, ?; Kasula, Mamatha
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1333 - 1341
• a: 12.53 ± 0.0007 Å
• b: 13.3747 ± 0.0007 Å
• c: 13.8179 ± 0.0008 Å
• α: 62.734 ± 0.002°
• β: 68.276 ± 0.002°
• γ: 76.955 ± 0.002°
• Cell volume: 1907.76 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No