Information card for entry 4032047

Structure parameters

• Formula: C27 H26 O2
• Calculated formula: C27 H26 O2
• SMILES: O1[C@H]2c3c(cc4ccccc4c3)[C@H]3OCC=C[C@@H]4[C@]53CC=CC[C@@]25[C@@H](C4)C=CC1
• 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: 8.108 ± 0.0016 Å
• b: 24.504 ± 0.005 Å
• c: 9.769 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No