Information card for entry 2002106

Structure parameters

• Formula: C12 H16 Br N O3
• Calculated formula: C12 H16 Br N O3
• Title of publication: Structure of hydrocotarnine hydrobromide
• Authors of publication: Seetharaman, J.; Rajan, S. S.; Srinivasan, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 175 - 177
• a: 7.345 ± 0.002 Å
• b: 8.865 ± 0.003 Å
• c: 10.644 ± 0.002 Å
• α: 72.07 ± 0.03°
• β: 88.69 ± 0.03°
• γ: 78.94 ± 0.04°
• Cell volume: 646.7 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No