Information card for entry 8101170

Structure parameters

• Formula: C20 H15 N3 O3 S
• Calculated formula: C20 H15 N3 O3 S
• Title of publication: Crystal structure of toluene-4-sulfonic acid 4-(4'-cyano-phenylazo)- phenyl ester, C~20~H~15~N~3~O~3~S
• Authors of publication: Meents, A.; Barbier, B.; Euler, H.; Kirfel, A.; Schwierz, H.; Vögtle, F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 115 - 116
• a: 6.929 ± 0.002 Å
• b: 8 ± 0.002 Å
• c: 16.943 ± 0.005 Å
• α: 94.82 ± 0.02°
• β: 94.35 ± 0.02°
• γ: 101.2 ± 0.02°
• Cell volume: 914 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0655
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No