Information card for entry 4512172

Structure parameters

• Common name: SCID_120K
• Chemical name: 1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione
• Formula: C15 H18 N2 O2
• Calculated formula: C15 H18 N2 O2
• Title of publication: Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound
• Authors of publication: Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6302
• a: 15.1497 ± 0.0004 Å
• b: 28.4586 ± 0.0008 Å
• c: 9.3889 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4047.92 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No