Information card for entry 4513302

Structure parameters

• Formula: C14 H10
• Calculated formula: C14 H10
• SMILES: c1c2ccccc2cc2c1cccc2
• Title of publication: Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
• Authors of publication: Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4098
• a: 9.2838 ± 0.0006 Å
• b: 5.9992 ± 0.0004 Å
• c: 8.421 ± 0.0006 Å
• α: 90°
• β: 102.487 ± 0.001°
• γ: 90°
• Cell volume: 457.92 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No