Information card for entry 4510774

Structure parameters

• Chemical name: Docetaxel trihydrate
• Formula: C43 H59 N O17
• Calculated formula: C41.882 H38.822 N O17
• Title of publication: The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel
• Authors of publication: Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4402
• a: 8.6619 ± 0.0008 Å
• b: 12.7429 ± 0.0009 Å
• c: 39.838 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4397.2 ± 0.7 ų
• Ambient diffraction temperature: 293.15 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
• Goodness-of-fit parameter for all reflections: 1.823
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No