Information card for entry 2200121

Structure parameters

• Chemical name: fern-9(11)-en-6α-ol‒methanol (1/1)
• Formula: C31 H54 O2
• Calculated formula: C31 H54 O2
• SMILES: C1CCC([C@@H]2[C@H](C[C@H]3C(=CC[C@@]4([C@@]3(CC[C@]3([C@H]4CC[C@@H]3C(C)C)C)C)C)[C@@]12C)O)(C)C.OC
• Title of publication: Fern-9(11)-en-6α-ol‒methanol (1/1)
• Authors of publication: Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Venkateswarlu, Yenamandra; Reddy, V. L. Niranjan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o228 - o230
• a: 11.505 ± 0.003 Å
• b: 8.484 ± 0.002 Å
• c: 14.616 ± 0.004 Å
• α: 90°
• β: 99.42 ± 0.03°
• γ: 90°
• Cell volume: 1407.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes