Information card for entry 7238694

Structure parameters

• Formula: C18 H22 N2 O5
• Calculated formula: C18 H22 N2 O5
• Title of publication: Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues
• Authors of publication: Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 19
• Pages of publication: 7557
• a: 11.1965 ± 0.0017 Å
• b: 15.03 ± 0.002 Å
• c: 10.6135 ± 0.0016 Å
• α: 90°
• β: 106.835 ± 0.003°
• γ: 90°
• Cell volume: 1709.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.098
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No