Information card for entry 8101471

Structure parameters

• Formula: C21 H24 O15
• Calculated formula: C21 H24 O15
• Title of publication: Crystal structure of 1H-2,3,4,5,6,7,8,9-octahydrocyclopenta-[e]-as- indacene-2,2,5,5,8,8-hexacarboxylic acid trihydrate, C21H18O12 · 3H2O
• Authors of publication: Podlaha, J.; Císařová, I.; Holý, P.; Závada, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 185 - 186
• a: 10.4425 ± 0.001 Å
• b: 10.8969 ± 0.0011 Å
• c: 11.3796 ± 0.0008 Å
• α: 95.423 ± 0.008°
• β: 116.136 ± 0.006°
• γ: 98.735 ± 0.008°
• Cell volume: 1129.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.095
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No