Information card for entry 1547302

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: CC1=CC[C@@H]2C[C@]3(C)C(=O)C[C@]12[C@H](O)C3=C.CC1=CC[C@H]2C[C@@]3(C)C(=O)C[C@@]12[C@@H](O)C3=C
• Title of publication: Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.
• Authors of publication: Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5324 - 5327
• a: 9.1835 ± 0.0005 Å
• b: 11.772 ± 0.0006 Å
• c: 11.8757 ± 0.0006 Å
• α: 97.9911 ± 0.0014°
• β: 97.2935 ± 0.0014°
• γ: 105.76 ± 0.0015°
• Cell volume: 1205.18 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No