Information card for entry 2209952

Structure parameters

• Common name: 1,6-diazidodiamantane
• Chemical name: 1,6-Diazidodiamantane
• Formula: C14 H18 N6
• Calculated formula: C14 H18 N6
• SMILES: C12([C@@H]3CC4C[C@H]2[C@H]2C([C@@H]3CC(C1)C2)(C4)N=N#N)N=N#N
• Title of publication: 1,6-Diazidodiamantane
• Authors of publication: Chu-Yi Yu; Qing-Yun Su; Qian Li; Li-Ben Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3529 - o3530
• a: 6.574 ± 0.009 Å
• b: 7.036 ± 0.009 Å
• c: 7.478 ± 0.01 Å
• α: 76.36 ± 0.02°
• β: 67.78 ± 0.02°
• γ: 77.75 ± 0.02°
• Cell volume: 308.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes