Information card for entry 7239114

Structure parameters

• Chemical name: (6aS,7aR,14aR)-2-nitro-6a,7,7a,12,13,14a-hexahydro-6H-chromeno[3',4':4,5] pyrrolo[2,1-a]isoquinoline
• Formula: C19 H18 N2 O3
• Calculated formula: C19 H18 N2 O3
• Title of publication: A convenient 1,3-dipolar cycloaddition‒reduction synthetic sequence from 2-allyloxy-5-nitro-salicylaldehyde to aminobenzopyran-annulated heterocycles
• Authors of publication: Parmar, Narsidas J.; Pansuriya, Bhavesh R.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 38
• Pages of publication: 17527
• a: 13.9267 ± 0.0006 Å
• b: 8.4827 ± 0.0003 Å
• c: 13.6567 ± 0.0005 Å
• α: 90°
• β: 103.56 ± 0.004°
• γ: 90°
• Cell volume: 1568.38 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No