Information card for entry 1505936

Structure parameters

• Formula: C21 H24 N2 O9
• Calculated formula: C21 H24 N2 O9
• SMILES: O1[C@@H](COC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C[C@H](C)[C@]21[C@@H]1CC(=O)OC[C@@]1(C)CC2
• Title of publication: Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.
• Authors of publication: Noguchi, Naoyoshi; Nakada, Masahisa
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2039 - 2042
• a: 7.005 ± 0.002 Å
• b: 9.105 ± 0.003 Å
• c: 16.371 ± 0.006 Å
• α: 90°
• β: 93.84 ± 0.01°
• γ: 90°
• Cell volume: 1041.8 ± 0.6 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No