Information card for entry 5000238

Structure parameters

• Formula: C11 H8 N2 O3 S2
• Calculated formula: C11 H7 N2 O3 S2
• Title of publication: The molecular structure of firefly D-(‒)-luciferin: A single crystal X-ray analysis
• Authors of publication: Blank, G. E.; Pletcher, J.; Sax, M.
• Journal of publication: Biochemical and Biophysical Research Communications
• Year of publication: 1971
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 583 - 588
• a: 9.248 Å
• b: 22.97 Å
• c: 5.331 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1132.45 ų
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No