Information card for entry 7706819

Structure parameters

• Formula: C38 H42 Fe N4 O4
• Calculated formula: C38 H42 Fe N4 O4
• Title of publication: A ferrocene-based pseudopeptide chiroptical switch.
• Authors of publication: Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 13
• Pages of publication: 4504 - 4511
• a: 27.994 ± 0.002 Å
• b: 11.1776 ± 0.0014 Å
• c: 24.045 ± 0.003 Å
• α: 90°
• β: 96.914 ± 0.01°
• γ: 90°
• Cell volume: 7469.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No