Information card for entry 1506732

Structure parameters

• Common name: Bbc-Phg-OMe
• Formula: C24 H24 N2 O8
• Calculated formula: C24 H24 N2 O8
• SMILES: O(C)C(=O)[C@@H](NC(=O)OCC#CCOC(=O)N[C@H](C(=O)OC)c1ccccc1)c1ccccc1
• Title of publication: But-2-ynylbisoxycarbonyl chloride: a novel C2-symmetric reagent for the protection of amines and amino acids.
• Authors of publication: Ramesh, R.; Chandrasekaran, S.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4947 - 4950
• a: 9.0402 ± 0.0002 Å
• b: 9.0402 ± 0.0002 Å
• c: 29.7809 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2433.85 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No