Information card for entry 1515744

Structure parameters

• Formula: C25 H33 N O2
• Calculated formula: C25 H33 N O2
• SMILES: [C@]12(C=Cc3ccccc3[C@]1(C(=O)N1CCCC1)C([C@@H]2C=C(C)C)(C)C)OCC.[C@@]12(C=Cc3ccccc3[C@@]1(C(=O)N1CCCC1)C([C@H]2C=C(C)C)(C)C)OCC
• Title of publication: Asymmetric photocycloaddition of naphthamide with a diene using the provisional molecular chirality in a chiral crystal.
• Authors of publication: Sakamoto, Masami; Yagishita, Fumitoshi; Saito, Ayako; Kobaru, Shuichiro; Unosawa, Atsushi; Mino, Takashi; Fujita, Tsutomu
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1387 - 1389
• a: 7.525 ± 0.009 Å
• b: 24.63 ± 0.03 Å
• c: 11.729 ± 0.015 Å
• α: 90°
• β: 98.548 ± 0.018°
• γ: 90°
• Cell volume: 2150 ± 5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No