Information card for entry 4023940

Structure parameters

• Formula: C13 H13 N
• Calculated formula: C13 H13 N
• Title of publication: Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B
• Authors of publication: Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4611 - 4620
• a: 9.0004 ± 0.0008 Å
• b: 6.8284 ± 0.0006 Å
• c: 15.7613 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.66 ± 0.15 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No