Information card for entry 4032046

Structure parameters

• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• SMILES: O=C1[C@@]23CC=CC[C@]2(C(=O)c2c1cccc2)[C@@H]1C=C[C@H]3C1
• Title of publication: Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.
• Authors of publication: Kotha, Sambasivarao; Gunta, Rama
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 1877 - 1883
• a: 8.483 ± 0.002 Å
• b: 33.621 ± 0.009 Å
• c: 14.525 ± 0.004 Å
• α: 90°
• β: 98.986 ± 0.003°
• γ: 90°
• Cell volume: 4091.8 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No