Information card for entry 1558654

Structure parameters

• Formula: C37 H25 N O
• Calculated formula: C37 H25 N O
• SMILES: O1c2ccc3ccc4c5ccccc5n(c4c3c2C=CC1(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect.
• Authors of publication: Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 1344 - 1355
• a: 31.8763 ± 0.0012 Å
• b: 6.7502 ± 0.0002 Å
• c: 27.2595 ± 0.001 Å
• α: 90°
• β: 114.087 ± 0.002°
• γ: 90°
• Cell volume: 5354.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No