Information card for entry 4023939

Structure parameters

• Formula: C14 H15 N
• Calculated formula: C14 H15 N
• SMILES: n12c3CCCCc3c3cccc(c13)CC2
• 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: 6.9258 ± 0.0008 Å
• b: 8.8531 ± 0.0011 Å
• c: 17.129 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1050.3 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No