Information card for entry 8102022

Structure parameters

• Formula: C44 H42 N2 O12
• Calculated formula: C44 H42 N2 O12
• Title of publication: Crystal structure of cyclonovobiocin, C~44~H~42~N~2~O~12~
• Authors of publication: Le Bras, G.; Bekaert, A.; Viossat, B.; Peyrat, J.-F.; Alami, M.; Brion, J. D.; Lemoine, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 381 - 382
• a: 5.437 ± 0.005 Å
• b: 32.564 ± 0.005 Å
• c: 10.922 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.818 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1905 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No