Information card for entry 4505206

Structure parameters

• Formula: C15 H26 Br N3
• Calculated formula: C15 H26 Br N3
• SMILES: [Br-].N(C(C)C)C(NC(C)C)=[NH+]c1c(cccc1C)C
• Title of publication: Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides
• Authors of publication: Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1881
• a: 7.991 ± 0.004 Å
• b: 18.379 ± 0.009 Å
• c: 11.456 ± 0.006 Å
• α: 90°
• β: 91.82 ± 0.03°
• γ: 90°
• Cell volume: 1681.7 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.1318
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No