Information card for entry 1576258

Structure parameters

• Chemical name: DCM
• Formula: C152 H164 Cl12 N8
• Calculated formula: C152 H164 Cl12 N8
• Title of publication: Activatable Self-Reporting Cyclization Reaction for In-Cell Synthesis of Cyclocyanines
• Authors of publication: Hang, He; Wang, Xia; Wang, Zhaobin; Meng, Chi; Sun, Qihang; Yang, Ziyue; Feng, Fude
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 11.3572 ± 0.001 Å
• b: 13.1763 ± 0.001 Å
• c: 22.3783 ± 0.0015 Å
• α: 90°
• β: 103.751 ± 0.003°
• γ: 90°
• Cell volume: 3252.8 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No