Information card for entry 2006621

Structure parameters

• Formula: C28.5 H35.5 Cl1.5 N O
• Calculated formula: C28.518 H35 Cl1.554 N O
• Title of publication: Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>
• Authors of publication: Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1447 - 1449
• a: 22.212 ± 0.005 Å
• b: 11.646 ± 0.004 Å
• c: 19.681 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5091 ± 2 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.1023
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No