Information card for entry 7204446

Structure parameters

• Formula: C38 H22 Br2 O2
• Calculated formula: C38 H22 Br2 O2
• SMILES: Brc1c2c(ccc1)C1(c3ccccc3Oc3ccccc13)C1(c3c2c(Br)ccc3)c2ccccc2Oc2ccccc12
• Title of publication: Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene]
• Authors of publication: Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1937
• a: 12.462 ± 0.006 Å
• b: 15.613 ± 0.007 Å
• c: 15.042 ± 0.007 Å
• α: 90°
• β: 111.351 ± 0.008°
• γ: 90°
• Cell volume: 2726 ± 2 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No