Information card for entry 7238808

Structure parameters

• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• Title of publication: Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate
• Authors of publication: Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 3006
• a: 10.023 ± 0.002 Å
• b: 12.899 ± 0.003 Å
• c: 9.221 ± 0.0018 Å
• α: 90°
• β: 115.59 ± 0.003°
• γ: 90°
• Cell volume: 1075.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No