Information card for entry 2003302

Structure parameters

• Chemical name: 3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one
• Formula: C24 H30 O2
• Calculated formula: C24 H30 O2
• SMILES: O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC1(C2=O)[C@H]2CCC[C@@H]12)C)C
• Title of publication: 3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one
• Authors of publication: Hooft, R. W. W.; Kroon, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 721 - 723
• a: 6.6532 ± 0.0006 Å
• b: 7.1539 ± 0.0004 Å
• c: 20.3786 ± 0.0013 Å
• α: 90°
• β: 93.473 ± 0.007°
• γ: 90°
• Cell volume: 968.17 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 0.18
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No