Information card for entry 1544242

Structure parameters

• Formula: C16 H17 N O2
• Calculated formula: C16 H16 N O2
• SMILES: O(CC)[C@H]1[C@]2(c3c(C(=C[C@H]2C1)CO)cccc3)C#N
• Title of publication: Intermolecular hydrogen bonding controlled stereoselective photocycloaddition of vinyl ethers to 1-cyanonaphthalenes.
• Authors of publication: Maeda, Hajime; Takenaka, Hiroki; Mizuno, Kazuhiko
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 1385 - 1392
• a: 8.164 ± 0.005 Å
• b: 8.507 ± 0.005 Å
• c: 19.437 ± 0.009 Å
• α: 90.22 ± 0.03°
• β: 90.11 ± 0.03°
• γ: 90.19 ± 0.02°
• Cell volume: 1349.9 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.1534
• Weighted residual factors for significantly intense reflections: 0.3799
• Weighted residual factors for all reflections included in the refinement: 0.3958
• Goodness-of-fit parameter for all reflections included in the refinement: 2.467
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No