Information card for entry 2003316

Structure parameters

• Chemical name: (N-[Methoxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)
• Formula: C40 H34 N2 O9
• Calculated formula: C41 H30 N2 O9.5
• Title of publication: Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A
• Authors of publication: Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 782 - 786
• a: 10.734 ± 0.003 Å
• b: 13.096 ± 0.004 Å
• c: 13.712 ± 0.004 Å
• α: 72.34 ± 0.02°
• β: 72.07 ± 0.02°
• γ: 71.82 ± 0.02°
• Cell volume: 1695.9 ± 0.9 ų
• Cell temperature: 188 ± 1 K
• Ambient diffraction temperature: 188 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0543
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No