Information card for entry 7238597

Structure parameters

• Common name: 5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa- benzo(g)cyclopenta(a)phenanthrene
• Chemical name: 5-Prop-2-ynylidene-6,7-dihydro-5H-1,4 -dioxa-benzo[g]cyclopenta[a]phenanthrene
• Formula: C21 H13 N O2
• Calculated formula: C21 H13 N O2
• Title of publication: Bicyclic ketone mediated synthesis of oxygenated aromatic systems
• Authors of publication: Pratap, Ramendra; Raghunandan, Resmi; Kumar, Abhinav; Ram, Vishnu Ji
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 2688
• a: 12.388 ± 0.002 Å
• b: 12.645 ± 0.0001 Å
• c: 10.535 ± 0.002 Å
• α: 90°
• β: 112.9 ± 0.02°
• γ: 90°
• Cell volume: 1520.2 ± 0.4 ų
• 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: 0.2678
• Residual factor for significantly intense reflections: 0.1374
• Weighted residual factors for significantly intense reflections: 0.3997
• Weighted residual factors for all reflections included in the refinement: 0.5108
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No