Information card for entry 4507436

Structure parameters

• Common name: Bong 1886
• Formula: C7 H9 F N8 O2
• Calculated formula: C7 H9 F N8 O2
• SMILES: C1(C(=O)NC(=O)NC=1)F.c1(nc(nc(n1)N)N)N
• Title of publication: Small-molecule/polymer recognition triggers aqueous-phase assembly and encapsulation.
• Authors of publication: Zhou, Zhun; Bong, Dennis
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 144 - 150
• a: 15.2456 ± 0.0004 Å
• b: 7.0415 ± 0.0001 Å
• c: 18.9105 ± 0.0005 Å
• α: 90°
• β: 92.025 ± 0.001°
• γ: 90°
• Cell volume: 2028.81 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No