Information card for entry 4029847

Structure parameters

• Chemical name: Dihydroindoloquinolinone
• Formula: C15 H10 N2 O
• Calculated formula: C15 H10 N2 O
• SMILES: O=C1Nc2c(c3[nH]c4ccccc4c13)cccc2
• Title of publication: Macrocyclic bis(ureas) as ligands for anion complexation.
• Authors of publication: Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2014
• Journal volume: 10
• Pages of publication: 1834 - 1839
• a: 11.8302 ± 0.0016 Å
• b: 7.098 ± 0.0015 Å
• c: 13.47 ± 0.0013 Å
• α: 90°
• β: 102.437 ± 0.008°
• γ: 90°
• Cell volume: 1104.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0988
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No