Information card for entry 1508892

Structure parameters

• Formula: C25 H42 O
• Calculated formula: C25 H42 O
• SMILES: O[C@]1([C@H]2C[C@@]3([C@@H](CC=C([C@H]2CC1)C)[C@H](CC3)[C@H](CCC=C(C)C)C)C)C
• Title of publication: Identification of Ophiobolin F Synthase by a Genome Mining Approach: A Sesterterpene Synthase from Aspergillus clavatus.
• Authors of publication: Chiba, Ryota; Minami, Atsushi; Gomi, Katsuya; Oikawa, Hideaki
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 594 - 597
• a: 6.214 ± 0.0003 Å
• b: 15.5633 ± 0.0009 Å
• c: 45.916 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4440.6 ± 0.4 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No