Information card for entry 7239171

Structure parameters

• Chemical name: 1,5,5,7a-tetramethyl-3-phenyl-5,5a,6,7,7a,15,15a,15b- octahydro-3H-pyrazolo[4'',3'':5',6']pyrano[4',3':5,6] thiochromeno[2,3-b]quinoline
• Formula: C30 H29 N3 O S
• Calculated formula: C30 H29 N3 O S
• Title of publication: A glycerol mediated domino reaction: an efficient, green synthesis of polyheterocycles incorporating a new thiochromeno[2,3-b]quinoline unit
• Authors of publication: Parmar, Narsidas J.; Barad, Hitesh A.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20719
• a: 10.3294 ± 0.0002 Å
• b: 14.8602 ± 0.0004 Å
• c: 19.1562 ± 0.0004 Å
• α: 90°
• β: 122.631 ± 0.001°
• γ: 90°
• Cell volume: 2476.3 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No