Information card for entry 2008971

Structure parameters

• Formula: C9 H7 N
• Calculated formula: C9 H7 N
• Title of publication: Isoquinoline
• Authors of publication: Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1565 - 1567
• a: 7.839 ± 0.002 Å
• b: 5.99 ± 0.001 Å
• c: 8.244 ± 0.002 Å
• α: 90°
• β: 116.88 ± 0.01°
• γ: 90°
• Cell volume: 345.28 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes