Information card for entry 8101799

Structure parameters

• Common name: 1,3-di(1-naphthalyl)propan-2-one
• Chemical name: 1,3-di(1-naphthalyl)propan-2-one
• Formula: C23 H18 O
• Calculated formula: C23 H18 O
• SMILES: O=C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
• Title of publication: Crystal structure of 1,3-di(1-naphthalyl)propan-2-one, C~23~H~18~O
• Authors of publication: A. Schwarzer; M. Nieger; D. Klomfaß; E. Weber
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 385 - 386
• a: 12.614 ± 0.001 Å
• b: 10.142 ± 0.001 Å
• c: 12.967 ± 0.001 Å
• α: 90°
• β: 98 ± 0.01°
• γ: 90°
• Cell volume: 1642.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No