Information card for entry 4119752

Structure parameters

• Formula: C32 H40 N2 O5
• Calculated formula: C32 H40 N2 O5
• SMILES: c1c(c2ccccc2[nH]1)C[C@H]1[C@@H]2[C@@H](C(=C[C@H]3[C@@]2(C(=O)N1)C(=O)C=C[C@@H]([C@@H](C(=C[C@H](CC=C3)C)C)O)O)C)C.O
• Title of publication: Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis
• Authors of publication: Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7371 - 7377
• a: 13.8992 ± 0.001 Å
• b: 7.5593 ± 0.0007 Å
• c: 14.1873 ± 0.0011 Å
• α: 90°
• β: 105.376 ± 0.006°
• γ: 90°
• Cell volume: 1437.3 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No