Information card for entry 1577092

Structure parameters

• Formula: C71 H77 Cl0.5 N5 O0.5
• Calculated formula: C72 H78 Cl N5
• Title of publication: Inducing configurational stability in inherently flexible expanded heterohelicenes and unlocking stimuli-responsive chiroptical switching
• Authors of publication: Pal, Manisha; Karak, Pirudhan; Hati, Debranjan; Giri, Mrityunjay; George, Subi J.; Choudhury, Joyanta
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.162 ± 0.003 Å
• b: 14.991 ± 0.004 Å
• c: 16.491 ± 0.004 Å
• α: 79.736 ± 0.012°
• β: 78.645 ± 0.009°
• γ: 66.662 ± 0.01°
• Cell volume: 2911 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1342
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.3035
• Weighted residual factors for all reflections included in the refinement: 0.3218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No