Information card for entry 1506942

Structure parameters

• Formula: C33 H28
• Calculated formula: C33 H28
• SMILES: c1(cc2cccc3c4ccccc4c(c23)c1c1ccccc1)C(c1ccccc1)C(C)(C)C
• Title of publication: Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.
• Authors of publication: Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 4355 - 4357
• a: 8.8482 ± 0.0005 Å
• b: 17.6806 ± 0.0011 Å
• c: 29.5631 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4624.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No