Information card for entry 8102391

Structure parameters

• Formula: C40 H36 O2
• Calculated formula: C40 H36 O2
• SMILES: O(C(c1ccccc1)(c1ccccc1)c1ccccc1)C.O(C(c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: Crystal structure of methoxytriphenylmethane, C20H18O
• Authors of publication: Min Zhang; Xian-You Yuan; Xing-Ming Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 87
• a: 8.9588 ± 0.0012 Å
• b: 12.3065 ± 0.0016 Å
• c: 15.0594 ± 0.0019 Å
• α: 71.524 ± 0.002°
• β: 87.36 ± 0.002°
• γ: 76.712 ± 0.002°
• Cell volume: 1531.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No