Information card for entry 4112223

Structure parameters

• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: O=C([O-])/C=C/C=C/C.[NH3+]Cc1c2c(ccc1)cccc2
• Title of publication: Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension
• Authors of publication: Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1764 - 1771
• a: 54.642 ± 0.003 Å
• b: 4.9909 ± 0.0001 Å
• c: 11.0533 ± 0.0001 Å
• α: 90°
• β: 99.442 ± 0.002°
• γ: 90°
• Cell volume: 2973.54 ± 0.18 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No