Information card for entry 4504015

Structure parameters

• Common name: cyclophane-bis-lactol
• Chemical name: cyclophane-bis-lactol
• Formula: C20 H21 O3 S
• Calculated formula: C20 H21 O3 S
• Title of publication: Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane
• Authors of publication: Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 713
• a: 9.374 ± 0.003 Å
• b: 17.514 ± 0.005 Å
• c: 20.342 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3339.7 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No