Information card for entry 7225745

Structure parameters

• Chemical name: bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate
• Formula: C18 H21 N3 O8.5
• Calculated formula: C19 H13 N3 O7.5
• Title of publication: Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties
• Authors of publication: Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 5916
• a: 9.9483 ± 0.0008 Å
• b: 9.9564 ± 0.0008 Å
• c: 10.6641 ± 0.0007 Å
• α: 66.488 ± 0.007°
• β: 75.79 ± 0.007°
• γ: 71.335 ± 0.007°
• Cell volume: 909.16 ± 0.13 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No