Information card for entry 4037713

Structure parameters

• Formula: C21 H24 O
• Calculated formula: C21 H24 O
• SMILES: O=C1[C@]2([C@H]([C@H]3C[C@@H]2C=C3)[C@H]2[C@H]3C[C@H](C=C3)[C@@]12CC=C)CC=C.O=C1[C@@]2([C@@H]([C@@H]3C[C@H]2C=C3)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@]12CC=C)CC=C
• Title of publication: Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.
• Authors of publication: Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 12.2966 ± 0.0013 Å
• b: 6.8639 ± 0.0005 Å
• c: 18.5829 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1568.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No