Information card for entry 1100439

Structure parameters

• Formula: C40 H42 O7
• Calculated formula: C40 H42 O7
• SMILES: O1CCOCCO[C@@H]([C@H](OCc2cccc(CO[C@@H]([C@H]1c1ccccc1)c1ccccc1)c2O)c1ccccc1)c1ccccc1.O
• Title of publication: Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers
• Authors of publication: Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard
• Journal of publication: Liebigs Annalen/Recueil
• Year of publication: 1997
• Journal volume: 1997
• Journal issue: 4
• Pages of publication: 707 - 720
• a: 8.967 ± 0.002 Å
• b: 12.842 ± 0.001 Å
• c: 15.1 ± 0.003 Å
• α: 90°
• β: 94.14 ± 0.01°
• γ: 90°
• Cell volume: 1734.29 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No