Information card for entry 2018352

Structure parameters

• Common name: naphtholactam
• Chemical name: Benz[<i>cd</i>]indol-2(1<i>H</i>)-one
• Formula: C11 H7 N O
• Calculated formula: C11 H7 N O
• Title of publication: Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K
• Authors of publication: Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o1 - o6
• a: 9.0551 ± 0.0019 Å
• b: 6.7287 ± 0.0014 Å
• c: 13.12 ± 0.003 Å
• α: 90°
• β: 92.6 ± 0.002°
• γ: 90°
• Cell volume: 798.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes