Information card for entry 7155452

Structure parameters

• Formula: C18 H16 N2
• Calculated formula: C18 H16 N2
• SMILES: c1c(c2c(cccc2)n1C)Cc1c[nH]c2ccccc12
• Title of publication: Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.
• Authors of publication: Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1435 - 1443
• a: 12.111 ± 0.0008 Å
• b: 10.0955 ± 0.0007 Å
• c: 23.0729 ± 0.0016 Å
• α: 90°
• β: 93.385 ± 0.003°
• γ: 90°
• Cell volume: 2816.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No