Information card for entry 4024961

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: O=C1NC[C@@H]2[C@](O)(c3c1cccc3)[C@@H]1C32C[C@@H]2CC1C[C@H](C3)C2.O=C1NC[C@H]2[C@@](O)(c3c1cccc3)[C@H]1C32C[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: 7.3253 ± 0.0007 Å
• b: 11.185 ± 0.003 Å
• c: 11.3358 ± 0.0018 Å
• α: 113.131 ± 0.006°
• β: 99.921 ± 0.007°
• γ: 106.091 ± 0.009°
• Cell volume: 778 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No