Information card for entry 4024468

Structure parameters

• Formula: C29 H22 O
• Calculated formula: C29 H22 O
• SMILES: O(c1cccc2c1c1c(c(c2)C)ccc2c1c1c(c(c2)C)ccc2c1cccc2)C
• Title of publication: Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives
• Authors of publication: Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3090 - 3093
• a: 15.123 ± 0.0004 Å
• b: 18.362 ± 0.002 Å
• c: 7.322 ± 0.0014 Å
• α: 90°
• β: 100.412 ± 0.006°
• γ: 90°
• Cell volume: 1999.8 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1441
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No