Information card for entry 1575896

Structure parameters

• Chemical name: DPP-Q-2
• Formula: C220.092 H180.075 N8
• Calculated formula: C220.092 H180.076 N8
• Title of publication: Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes
• Authors of publication: Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20464 - 20472
• a: 19.0391 ± 0.0008 Å
• b: 36.5284 ± 0.0014 Å
• c: 38.0565 ± 0.0016 Å
• α: 90°
• β: 93.829 ± 0.003°
• γ: 90°
• Cell volume: 26408 ± 1.9 ų
• Number of distinct elements: 3
• 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: 0.169
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No