Information card for entry 2009052

Structure parameters

• Common name: Hedychenone
• Chemical name: 4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)
• Formula: C20 H26 O2
• Calculated formula: C20 H26 O2
• SMILES: O=C1[C@H]2C(C)(C)CCC[C@@]2([C@H](C(=C1)C)\C=C\c1ccoc1)C
• Title of publication: Hedychenone from <i>Hedychium Yunnanense</i> Gagnep
• Authors of publication: Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: IUC9900129
• a: 7.4986 ± 0.0015 Å
• b: 11.574 ± 0.002 Å
• c: 20.032 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1738.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.066
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No