Information card for entry 4516030

Structure parameters

• Formula: C21 H32 Cl N O2
• Calculated formula: C21 H32 Cl N O2
• SMILES: C1=C2C(=O)O[C@@H](C)[C@@H]2[C@H](/C=C/[C@@H]2[NH2+][C@@H](C)CCC2)[C@@H]2[C@@H]1CCCC2.[Cl-]
• Title of publication: Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.
• Authors of publication: Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 1912 - 1921
• a: 7.4614 ± 0.0001 Å
• b: 9.6133 ± 0.0001 Å
• c: 28.5458 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.55 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No