Information card for entry 7706961

Structure parameters

• Formula: C58 H48 N6 O2 S
• Calculated formula: C58 H48 N6 O2 S
• Title of publication: Strong two-photon absorption and ultrafast dynamics of meso-functionalized "push-pull"trans-A₂BC porphyrins.
• Authors of publication: Kumar, Sandeep; Acharyya, Jitendra Nath; Banerjee, Dipanjan; Soma, Venugopal Rao; Vijaya Prakash, G.; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6256 - 6272
• a: 8.0272 ± 0.0016 Å
• b: 17.522 ± 0.004 Å
• c: 22.872 ± 0.005 Å
• α: 69.48 ± 0.03°
• β: 83.85 ± 0.03°
• γ: 81.25 ± 0.03°
• Cell volume: 2972.8 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1632
• Residual factor for significantly intense reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.3656
• Weighted residual factors for all reflections included in the refinement: 0.3857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.533
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No