Information card for entry 2200250

Structure parameters

• Chemical name: 2-Amino-5-hexyloxytropone
• Formula: C13 H19 N O2
• Calculated formula: C13 H19 N O2
• SMILES: Nc1c(=O)ccc(OCCCCCC)cc1
• Title of publication: 2-Amino-5-hexyloxytropone
• Authors of publication: Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o279 - o281
• a: 10.754 ± 0.0004 Å
• b: 13.9616 ± 0.0005 Å
• c: 8.9464 ± 0.0004 Å
• α: 90°
• β: 104.946 ± 0.0012°
• γ: 90°
• Cell volume: 1297.8 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes