Information card for entry 7061162

Structure parameters

• Formula: C34 H36 O14
• Calculated formula: C34 H36 O14
• SMILES: O.O(c1c(c2C(=O)C3=C(C(=O)c2c(O)c1)[C@H](O[C@@H](C3)C)C)c1c2[C@H](O)[C@H](O[C@@H](c2c(O)c2C(=O)C=C(OCOC)C(=O)c12)C)C)COC
• Title of publication: Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin
• Authors of publication: Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Hoshiyama, To-sho; Imamura, Akari; Yoneyama, Tatsuro; Umeyama, Akemi; Noji, Masaaki; Tsunoda, Tetsuto; Kaku, Hiroto
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 2600 - 2604
• a: 10.2753 ± 0.0013 Å
• b: 15.0618 ± 0.0019 Å
• c: 19.894 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3078.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No