Information card for entry 7063996

Structure parameters

• Formula: C31 H23 N S
• Calculated formula: C31 H23 N 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: 13.023 ± 0.003 Å
• b: 16.781 ± 0.003 Å
• c: 10.7881 ± 0.0017 Å
• α: 90°
• β: 96.714 ± 0.017°
• γ: 90°
• Cell volume: 2341.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.6013
• Residual factor for significantly intense reflections: 0.4705
• Weighted residual factors for significantly intense reflections: 0.7991
• Weighted residual factors for all reflections included in the refinement: 0.8406
• Goodness-of-fit parameter for all reflections included in the refinement: 3.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No