Information card for entry 7104687

Structure parameters

• Formula: C8 H12 N2 O
• Calculated formula: C8 H12 N2 O
• Title of publication: Phosphabarrelene-modified Rh-catalysts: a new and selective route towards hydroxy-functionalized bicyclic imidazoles via tandem reactions.
• Authors of publication: Bäuerlein, Patrick S; Gonzalez, Ismael Arenas; Weemers, Jarno J M; Lutz, Martin; Spek, Anthony L; Vogt, Dieter; Müller, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 33
• Pages of publication: 4944 - 4946
• a: 13.4857 ± 0.0005 Å
• b: 8.0251 ± 0.0006 Å
• c: 19.0553 ± 0.0008 Å
• α: 90°
• β: 129.266 ± 0.002°
• γ: 90°
• Cell volume: 1596.62 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No