Information card for entry 2201562

Structure parameters

• Common name: mont2
• Chemical name: Montanastatin: cyclo(-Val-D-Hyv-D-Val-Lac-)2, Hyv=alpha-hydroxyisovaleric acid, Lac=lactic acid
• Formula: C36 H60 N4 O12
• Calculated formula: C36 H60 N4 O12
• SMILES: C[C@@H]1OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C
• Title of publication: Montanastatin, cyclo[‒(Val-<small>D</small>-Hyv-<small>D</small>-Val-Lac)~2~‒]
• Authors of publication: Mitsunobu Doi; Akiko Asano
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o935 - o936
• a: 13.488 ± 0.006 Å
• b: 17.868 ± 0.007 Å
• c: 16.452 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3965 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes