Information card for entry 4023941

Structure parameters

• Formula: C27 H29 N O
• Calculated formula: C27 H29 N O
• SMILES: C1Cc2cccc3c2n1c1c3C[C@@H]2[C@@]1(CC[C@@H]1c3ccc(cc3CC[C@@H]21)OC)C
• 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: 18.451 ± 0.003 Å
• b: 8.185 ± 0.001 Å
• c: 13.7757 ± 0.0017 Å
• α: 90°
• β: 101.249 ± 0.004°
• γ: 90°
• Cell volume: 2040.4 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No