FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.
Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c01184

data_4038670
_publ_section_title
;
 FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen
 Vibrations.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c01184
_journal_year                    2020
_chemical_formula_moiety         'C18 H20'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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'Tue Mar 29 08:13:20 2011'
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_cell_angle_alpha                90
_cell_angle_beta                 94.077(8)
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_cell_measurement_temperature    173(2)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
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;
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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;
_computing_structure_refinement
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Sheldrick, G. M. (2008).
<i>Acta Cryst.</i> A<b>64</b>, 112--122.
;
_computing_structure_solution
;
A. Altomare, M. C. Burla, M. Camalli, G. L. Cascarano, C. Giacovazzo, A.
Guagliardi, A. G. G. Moliterni, G. Polidori, R. Spagna: SIR97: a new tool for
crystal structure determination and refinement; J. Appl. Crystallogr. 1999,
32, 115-119.
;
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;
  1 omega  -81.00  -23.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2931  -77.0000  -90.0000 58

  2 omega   34.00   87.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       21.2306  179.0000 -150.0000 53

  3 omega   26.00   95.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       21.2306   38.0000 -150.0000 69

  4 omega   34.00  101.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       21.2306  179.0000   60.0000 67

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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_source                   'fine-focus sealed tube'
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0684P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_min   0.986
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