Information card for entry 7134201

Structure parameters

• Formula: C65 H41 Cl3
• Calculated formula: C65 H41 Cl3
• Title of publication: Through-space conjugation driven luminescence enhancement in crystalline butterfly architectures.
• Authors of publication: Sujilkumar, Suvarna; Hari, Avinash; Hariharan, Mahesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 16
• Pages of publication: 3331 - 3334
• a: 11.8264 ± 0.0005 Å
• b: 21.1618 ± 0.001 Å
• c: 21.7622 ± 0.001 Å
• α: 111.549 ± 0.002°
• β: 102.509 ± 0.002°
• γ: 99.005 ± 0.002°
• Cell volume: 4775.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No