Information card for entry 4507423

Structure parameters

• Common name: Compound 7d
• Chemical name: syn-4-Hydroxy-12-phenyl-2,3-benzo-8,13-dioxa-1,11-diazatetracyclo [7.7.01,9.0^5,9^.0^11,15^]hexadeca-2,6-diene-10,16-dione
• Formula: C22 H18 N2 O5
• Calculated formula: C22 H18 N2 O5
• SMILES: O=C1N2c3ccccc3[C@@H](O)[C@@H]3[C@]2(OC=C3)C(=O)N2[C@@H](OC[C@H]12)c1ccccc1
• Title of publication: Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
• Authors of publication: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
• Journal of publication: ACS Combinatorial Science
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 73
• a: 7.2733 ± 0.0002 Å
• b: 11.3442 ± 0.0004 Å
• c: 22.914 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.63 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No