Information card for entry 1504278

Structure parameters

• Formula: C23 H41 Cl N2 O5
• Calculated formula: C23 H41 Cl N2 O5
• SMILES: ClC/C(=C\C)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C
• Title of publication: Total synthesis of the putative structure of lucentamycin A.
• Authors of publication: Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5298 - 5301
• a: 13.3942 ± 0.0005 Å
• b: 13.3942 ± 0.0005 Å
• c: 27.3937 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4256.1 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No