Information card for entry 2010448

Structure parameters

• Formula: C48 H52 N2 O15
• Calculated formula: C48 H52 N2 O15
• SMILES: NC(=O)O[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C
• Title of publication: 2'-Carbamate Taxol
• Authors of publication: Gao, Q.; Golik, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 295 - 298
• a: 19.874 ± 0.001 Å
• b: 23.935 ± 0.002 Å
• c: 9.496 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4517.1 ± 0.6 ų
• Cell temperature: 290 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No