Information card for entry 2216113

Structure parameters

• Common name: <i>ent</i>-Kaur-16-en-19-al
• Chemical name: <i>ent</i>-Kaur-16-en-19-al
• Formula: C20 H30 O
• Calculated formula: C20 H30 O
• SMILES: O=C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H](C1)C(=C)C3)C)C
• Title of publication: <i>ent</i>-Kaur-16-en-19-al
• Authors of publication: Suchada Chantrapromma; Abdul Wahab Salae; Hoong-Kun Fun; Chanita Ponglimanont
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4329 - o4329
• a: 6.3126 ± 0.0002 Å
• b: 11.2823 ± 0.0004 Å
• c: 22.8044 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1624.14 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes