Information card for entry 2232711

Structure parameters

• Common name: 13-benzylamino-12,14-dioxa-13λ^5^- phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa- 1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-one
• Chemical name: 1,1'-Binaphthyl-2,2'-diyl benzylphosphoramidate
• Formula: C27 H20 N O3 P
• Calculated formula: C27 H20 N O3 P
• SMILES: c12ccc3ccccc3c1c1c3ccccc3ccc1OP(=O)(NCc1ccccc1)O2
• Title of publication: 1,1'-Binaphthyl-2,2'-diyl benzylphosphoramidate
• Authors of publication: Gowda, Ravikumar R.; Ramkumar, Venkatachalam; Chakraborty, Debashis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3310
• a: 13.7998 ± 0.0004 Å
• b: 11.0667 ± 0.0003 Å
• c: 14.7487 ± 0.0005 Å
• α: 90°
• β: 112.674 ± 0.001°
• γ: 90°
• Cell volume: 2078.31 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes