Information card for entry 7224575

Structure parameters

• Common name: dipropylammonium D-(+)-10-camphorsulfonate
• Formula: C16 H31 N O4 S
• Calculated formula: C16 H31 N O4 S
• SMILES: S(=O)(=O)([O-])C[C@]12CC[C@H](CC1=O)C2(C)C.[NH2+](CCC)CCC
• Title of publication: Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate
• Authors of publication: Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 2852
• a: 13.7632 ± 0.0003 Å
• b: 7.3472 ± 0.0002 Å
• c: 18.3748 ± 0.0004 Å
• α: 90°
• β: 107.385 ± 0.002°
• γ: 90°
• Cell volume: 1773.2 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No