Information card for entry 7063997

Structure parameters

• Formula: C27 H21 Cl N3 S0.5
• Calculated formula: C30 H21 S
• Title of publication: Synthesis and photochromic modulation of aromaticity in dinaphthylethene derivatives
• Authors of publication: Ou, Tao; Kong, Lingxu; Song, Changsen; Shang, Bingyan; Yang, Jingjing; Zuo, Jinxin; Di, Feifan; Yan, Maocai; Ding, Lin; Li, Ruiji
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 17841 - 17848
• a: 10.431 ± 0.004 Å
• b: 11.026 ± 0.004 Å
• c: 11.802 ± 0.006 Å
• α: 113.27 ± 0.04°
• β: 102.05 ± 0.04°
• γ: 107.42 ± 0.03°
• Cell volume: 1103.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2744
• Residual factor for significantly intense reflections: 0.1672
• Weighted residual factors for significantly intense reflections: 0.4112
• Weighted residual factors for all reflections included in the refinement: 0.4725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No