Information card for entry 2016844

Structure parameters

• Common name: indole urea
• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1H-indol-3-yl)butanoyl]urea
• Formula: C25 H35 N3 O2
• Calculated formula: C25 H35 N3 O2
• SMILES: O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)CCCc1c[nH]c2c1cccc2
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>-[4-(1<i>H</i>-indol-3-yl)butanoyl]urea
• Authors of publication: Basu, Sharmila; Ghosh, Soumen; Ghosh, Somnath; Helliwell, Madeleine; Mukherjee, Alok K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o595 - o598
• a: 8.4655 ± 0.0007 Å
• b: 11.5938 ± 0.0009 Å
• c: 13.0982 ± 0.0011 Å
• α: 68.331 ± 0.002°
• β: 86.752 ± 0.001°
• γ: 72.289 ± 0.001°
• Cell volume: 1135.83 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes