Information card for entry 1513102

Structure parameters

• Common name: 1-formamido-abeo-pupukeanane
• Formula: C16 H27 N O
• Calculated formula: C16 H27 N O
• SMILES: N(C=O)[C@@]1([C@@H]2[C@@]3([C@@H]([C@H](C2)[C@@H](C3)C(C)C)CC1)C)C
• Title of publication: Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch Phyllidia coelestis Bergh.
• Authors of publication: Jaisamut, Sunan; Prabpai, Samran; Tancharoen, Chompoonuch; Yuenyongsawad, Supreeya; Hannongbua, Supa; Kongsaeree, Palangpon; Plubrukarn, Anuchit
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 2158 - 2161
• a: 7.0316 ± 0.0002 Å
• b: 9.5125 ± 0.0004 Å
• c: 21.7347 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1453.79 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No