Information card for entry 1508931

Structure parameters

• Formula: C21 H13 Cl4 N2 O3
• Calculated formula: C21 H13 Cl4 N2 O3
• Title of publication: Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.
• Authors of publication: Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 988 - 991
• a: 26.5331 ± 0.0009 Å
• b: 8.0048 ± 0.0003 Å
• c: 9.7571 ± 0.0004 Å
• α: 90°
• β: 97.575 ± 0.002°
• γ: 90°
• Cell volume: 2054.25 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No