Information card for entry 4024960

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: O=C1N2[C@](O)(c3c1cccc3)[C@H]1C3(C2)C[C@H]2CC1C[C@@H](C3)C2
• Title of publication: Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides
• Authors of publication: Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8219 - 8231
• a: 9.6761 ± 0.0008 Å
• b: 10.4335 ± 0.0008 Å
• c: 14.268 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.43 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No