Information card for entry 2222178

Structure parameters

• Common name: pinnatane A
• Formula: C30 H48 O3
• Calculated formula: C30 H48 O3
• SMILES: OC(=O)[C@@]12CCC(C[C@@H]1[C@]1(C)[C@](CC2)(C)[C@H]2[C@@](CC1)(C)[C@@H]1C(=CC2)C([C@H](O)CC1)(C)C)(C)C
• Title of publication: Pinnatane A from the bark of <i>Walsura pinnata</i> Hassk
• Authors of publication: Mohamad, Khalit; Yusoff, Mahfizah; Awang, Khalijah; Ahmad, Kartini; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1317
• a: 7.3761 ± 0.0002 Å
• b: 16.3585 ± 0.0004 Å
• c: 20.7032 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.09 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes