Information card for entry 7203482

Structure parameters

• Formula: C20 H12 N2 O8 S4
• Calculated formula: C20 H12 N2 O8 S4
• SMILES: S1C(SC=C1)=C1SC=CS1.OC(=O)CN2C(=O)c3c(cc4C(=O)N(C(=O)c4c3)CC(=O)O)C2=O
• Title of publication: Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests
• Authors of publication: Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 608
• a: 7.7829 ± 0.0005 Å
• b: 9.8027 ± 0.0007 Å
• c: 15.4096 ± 0.001 Å
• α: 97.584 ± 0.005°
• β: 97.404 ± 0.004°
• γ: 107.85 ± 0.004°
• Cell volume: 1091.26 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No