Information card for entry 1505982

Structure parameters

• Formula: C14 H15 N
• Calculated formula: C14 H15 N
• SMILES: n12c3CCCCc3c3cccc(c13)CC2
• Title of publication: A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.
• Authors of publication: Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2167 - 2170
• 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