Information card for entry 4516031

Structure parameters

• Formula: C22 H32 Cl N O4
• Calculated formula: C22 H32 Cl N O4
• SMILES: C12=C(C(=O)OC)[C@@H](O)[C@@H]3CCCC[C@H]3[C@@]31[C@@H]1C[C@@]2(O)[C@@H]2CC[C@H](C)[NH+]3[C@@H]2C1.[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: 9.0105 ± 0.0001 Å
• b: 13.7999 ± 0.0001 Å
• c: 33.4435 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4158.5 ± 0.06 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: 0.0342
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0279
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No