Information card for entry 7055127

Structure parameters

• Formula: C26 H24 N2 O4
• Calculated formula: C26 H24 N2 O4
• SMILES: c12c(c(C)[nH]n1)C1(C(=O)c3ccccc3c3ccccc13)C1=C(CC(CC1=O)(C)C)O2.O
• Title of publication: Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst
• Authors of publication: Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9480
• a: 7.817 ± 0.0008 Å
• b: 9.4031 ± 0.001 Å
• c: 16.4402 ± 0.0017 Å
• α: 73.821 ± 0.003°
• β: 81.557 ± 0.003°
• γ: 69.541 ± 0.003°
• Cell volume: 1085.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No