Crystallography Open Database

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1001657 CIFBa1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8271; 3.8271; 12.385
90; 90; 90
181.4Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-), 1995, 51, 18-22
1001658 CIFBa1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8356; 3.8356; 12.39
90; 90; 90
182.3Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-), 1995, 51, 18-22
1001659 CIFBa1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8234; 3.8234; 12.384
90; 90; 90
181Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-), 1995, 51, 18-22
1001660 CIFMg O6 Pb2 WF m -3 m8.0058; 8.0058; 8.0058
90; 90; 90
513.1Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-), 1995, 51, 668-673
1001661 CIFMg O6 Pb2 WP m c n7.944; 5.6866; 11.4059
90; 90; 90
515.3Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-), 1995, 51, 668-673
1001662 CIFMg O6 Pb2 WP m c n7.9041; 5.7035; 11.4442
90; 90; 90
515.9Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-), 1995, 51, 668-673
2101248 CIF
Paper
C4 D6C 1 2/m 17.15889; 6.45529; 4.07818
90; 101.053; 90
184.967Ibberson, R. M.; Prager, M.
The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction
Acta Crystallographica Section B, 1995, 51, 71-76
2101249 CIF
Paper
C31 H21 O4P -110.421; 12.772; 10.016
108.22; 114.42; 72.35
1129.4Mori, Y.; Niwa, A.; Maeda, K.
Structural study of chromotropic [dibenzofuran]diones by X-ray structure analysis and MO calculation
Acta Crystallographica Section B, 1995, 51, 61-65
2101250 CIF
Paper
Cl5 Fe H2 K2 OP n m a13.452; 9.631; 7.003
90; 90; 90
907.3Schultz, A. J.; Carlin, R. L.
Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure
Acta Crystallographica Section B, 1995, 51, 43-47
2101251 CIF
Paper
Cl5 Fe H2 K2 OP n m a13.391; 9.648; 6.942
90; 90; 90
896.9Schultz, A. J.; Carlin, R. L.
Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure
Acta Crystallographica Section B, 1995, 51, 43-47
2101252 CIF
Paper
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8271; 3.8271; 12.395
90; 90; 90
181.55Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~δ}
Acta Crystallographica Section B, 1995, 51, 18-22
2101253 CIF
Paper
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8356; 3.8356; 12.39
90; 90; 90
182.2Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~
Acta Crystallographica Section B, 1995, 51, 18-22
2101254 CIF
Paper
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22P 4/m m m3.8234; 3.8234; 12.384
90; 90; 90
181Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~
Acta Crystallographica Section B, 1995, 51, 18-22
2101255 CIF
Paper
C67 H130 Cl2 N10 O53P 117.909; 18.466; 18.873
96.65; 114.15; 114.78
4850Sheldrick, G. M.; Paulus, E.; Vértesy, L.; Hahn, F.
Structure of ureido-balhimycin
Acta Crystallographica Section B, 1995, 51, 89-98
2101256 CIF
Paper
C29 H48 O4.5P 21 21 227.266; 13.865; 7.237
90; 90; 90
2735.9Candeloro De Sanctis, S.; Coiro, V. M.; Mazza, F.; Pochetti, G.
The inclusion compound of deoxycholic acid with (‒)-camphor: a structural and energetic study
Acta Crystallographica Section B, 1995, 51, 81-89
2101257 CIF
Paper
C11 H26 N O3.5C 1 2/c 115.94; 4.714; 35.436
90; 98.2; 90
2635.5Aigouy, T.; Costeseque, P.; Sempere, R.; Senac, T.; Jaud, J.; Anglerot, D.
Caractérisation structurale et évolution thermique de l'acide amino-11-undécanoïque (C~11~H~23~NO~2~.1,5H~2~O)
Acta Crystallographica Section B, 1995, 51, 55-61
2101258 CIF
Paper
C2 H0.67 Cl21.34 I N4 P5I 41/a c d16.114; 16.114; 27.777
90; 90; 90
7213Belaj, F.
Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium dichloroiodate(I), [P(NPCl~3~)~4~]^+^[ICl~2~]^{‒^}.2[(CCl~4~)~<i>x~</i>(CHCl~3~)~1{-~<i>x</i>}], <i>x</i> = 0.67 (2)
Acta Crystallographica Section B, 1995, 51, 65-71
2101259 CIF
Paper
Bi2 O11 Ti4C 1 2/c 114.5999; 3.8063; 14.9418
90; 93.129; 90
829.1Kahlenberg, V.; Böhm, H.
The structures of α- and β-Bi~2~Ti~4~O~11~
Acta Crystallographica Section B, 1995, 51, 11-18
2101260 CIF
Paper
Bi2 O11 Ti4C 1 2/m 114.6412; 3.8032; 10.7824
90; 136.135; 90
416.05Kahlenberg, V.; Böhm, H.
The structures of α- and β-Bi~2~Ti~4~O~11~
Acta Crystallographica Section B, 1995, 51, 11-18
2101261 CIF
Paper
C6 H12 O6P 21 21 217.49; 7.78; 11.66
90; 90; 90
679.454van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.
Attempted prediction of the crystal structures of six monosaccharides
Acta Crystallographica Section B, 1995, 51, 99-103
2101262 CIF
Paper
C6 H12 O6P 21 21 216.05; 9.35; 11.87
90; 90; 90
671.456van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.
Attempted prediction of the crystal structures of six monosaccharides
Acta Crystallographica Section B, 1995, 51, 99-103
2101263 CIF
Paper
H8 O10 S2 SrP 3212.692; 12.692; 19.186
90; 90; 120
2676.5Fábry, J.
Structure redetermination of SrS~2~O~6~.4H~2~O
Acta Crystallographica Section B, 1995, 51, 23-30
2101264 CIF
Paper
C6 H11 N O3P -110.822; 13.743; 5.408
96.47; 97.97; 86.31
790.5Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.
Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime
Acta Crystallographica Section B, 1995, 51, 232-240
2101265 CIF
Paper
C5 H9 N O3P 1 21/c 18.568; 5.916; 26.403
90; 92.39; 90
1337.2Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.
Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime
Acta Crystallographica Section B, 1995, 51, 232-240
2101266 CIF
Paper
C20 H20C 1 2/c 121.71; 8.553; 7.528
90; 95.73; 90
1390.9Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101267 CIF
Paper
C22 H24P -110.703; 15.902; 10.302
90.65; 90.01; 103.86
1702.2Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101268 CIF
Paper
C22 H24P -110.555; 15.815; 10.206
90.47; 90.14; 103.64
1655.5Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101269 CIF
Paper
C20 H20P 1 21/n 15.182; 5.376; 24.079
90; 93.42; 90
669.6Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101270 CIF
Paper
C20 H20P 1 21/n 15.225; 5.42; 24.26
90; 92.67; 90
686.3Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101271 CIF
Paper
C20 H20C 1 2/c 121.776; 8.62; 7.709
90; 95.22; 90
1441Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101272 CIF
Paper
C20 H20P 1 21/n 15.605; 4.979; 23.835
90; 92.58; 90
664.5Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101273 CIF
Paper
C20 H20P 1 21/n 15.627; 5.05; 23.987
90; 92.31; 90
681.1Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101274 CIF
Paper
C20 H20P -113.188; 14.693; 7.6702
98.444; 98.961; 90.552
1451.4Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101275 CIF
Paper
C20 H20P -113.302; 14.763; 7.757
97.75; 98.94; 90.53
1490.3Ogawa, K.; Harada, J.; Tomoda, S.
Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
Acta Crystallographica Section B, 1995, 51, 240-248
2101276 CIF
Paper
C14 H12 Cl NP 1 21/n 15.965; 7.423; 27.42
90; 99.22; 90
1198.4Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.
The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
Acta Crystallographica Section B, 1995, 51, 187-197
2101277 CIF
Paper
C14 H12 Cl NP 1 21/a 15.971; 7.411; 13.731
90; 99.13; 90
599.9Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.
The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
Acta Crystallographica Section B, 1995, 51, 187-197
2101278 CIF
Paper
H12 O18 Si12P b c a14.605; 20.738; 15.42
90; 90; 90
4670.4Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H.
The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~
Acta Crystallographica Section B, 1995, 51, 155-161
2101279 CIF
Paper
C6 H10 N2 O2P 1 21/n 16.747; 13.418; 8.09
90; 99.01; 90
723.36Louër, D.; Louër, M.; Dzyabchenko, V. A.; Agafonov, V.; Ceolin, R.
Structure of a metastable phase of piracetami from X-ray powder diffraction using the atom–atom potential method
Acta Crystallographica Section B, 1995, 51, 182-187
2101280 CIF
Paper
C13 H21 F11 Sb2P b c a11.527; 16.228; 20.45
90; 90; 90
3825Laube, T.; Schaller, E.
Redetermination of the crystal structure of 3,5,7-trimethyl-1-adamantyl undecafluorodiantimonate(V)
Acta Crystallographica Section B, 1995, 51, 177-181
2101281 CIF
Paper
C7 H10 N2 O2P -17.242; 7.991; 8.38
61.98; 63.4; 82.09
381.2Suwinska, K.
Structure and thermochemical properties of some alkyluracils
Acta Crystallographica Section B, 1995, 51, 248-254
2101282 CIF
Paper
C8 H12 N2 O2P 1 21/n 14.107; 9.806; 20.994
90; 92.97; 90
844.4Suwinska, K.
Structure and thermochemical properties of some alkyluracils
Acta Crystallographica Section B, 1995, 51, 248-254
2101283 CIF
Paper
C9 H14 N2 O2P 1 21/c 110.738; 11.735; 23.056
90; 90.91; 90
2904.9Suwinska, K.
Structure and thermochemical properties of some alkyluracils
Acta Crystallographica Section B, 1995, 51, 248-254
2101284 CIF
Paper
C10 H16 N2 O2P 1 21/c 19.441; 12.086; 18.751
90; 100.53; 90
2103.5Suwinska, K.
Structure and thermochemical properties of some alkyluracils
Acta Crystallographica Section B, 1995, 51, 248-254
2101285 CIF
Paper
C11 H14 N2 O3P 1 21 15.152; 14.79; 7.134
90; 106.14; 90
522.18Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.
Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability
Acta Crystallographica Section B, 1995, 51, 197-209
2101286 CIF
Paper
C11 H14 N2 O3P 1 21 15.164; 14.796; 7.108
90; 105.86; 90
522.4Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.
Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability
Acta Crystallographica Section B, 1995, 51, 197-209
2101287 CIF
Paper
C11 H14 N2 O3P 1 21 15.152; 14.79; 7.134
90; 106.14; 90
522.18Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.
Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability
Acta Crystallographica Section B, 1995, 51, 197-209
2101288 CIF
Paper
C5 H30 Bi2 Cl11 N5P 1 1 2112.88; 13.916; 15.059
90; 90; 90.13
2699.1Carpentier, P.; Lefebvre, J.; Jakubas, R.
Structure of pentakis(methylammonium) undecachlorodibismuthate(III), [NH~3~(CH~3~)]~5~Bi~2~Cl~11~, at 130 K and mechanism of the phase transitions
Acta Crystallographica Section B, 1995, 51, 167-174
2101289 CIF
Paper
C56 H88 S4P 123.9; 15.6; 3.8
90; 90; 90
1416.79Luzny, W.
X-ray diffraction and computer modelling study of the structure and conformation of poly(3-decylthiophene)
Acta Crystallographica Section B, 1995, 51, 255-260
2101290 CIF
Paper
C36 H52 Cl6 In N3 O14P b c n26.639; 16.667; 10.538
90; 90; 90
4678.8Spengler, R.; Lange, J.; Zimmermann, H.; Burzlaff, H.; Veltsistas, P. G.; Karayannis, M. I.
Structure of C~36~H~52~Cl~6~InN~3~O~14~
Acta Crystallographica Section B, 1995, 51, 174-177
2101291 CIF
Paper
C6 H12 O6P 21 21 215.8999; 7.8433; 15.685
90; 90; 90
725.8Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.
An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose
Acta Crystallographica Section B, 1995, 51, 209-220
2101292 CIF
Paper
C6 H12 O6P 21 21 216.5949; 9.014; 12.72
90; 90; 90
756.2Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.
An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose
Acta Crystallographica Section B, 1995, 51, 209-220
2101293 CIF
Paper
Cl6 N2 O2 P2 SP 1 21/c 111.843; 7.751; 12.374
90; 95.11; 90
1131.4Belaj, F.
Structure and thermal motion of sulfonylbis(phosphorimidic trichloride), So~2~(NPCl~3~)~2~ at 100 K
Acta Crystallographica Section B, 1995, 51, 161-166
2101294 CIF
Paper
C25 H20 OP 21 21 218.358; 13.8976; 15.5915
90; 90; 90
1811Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101295 CIF
Paper
C18 H15 N OP 1 21/c 18.1899; 14.855; 11.6069
90; 96.344; 90
1403.5Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101296 CIF
Paper
C21 H16 OP 1 21/c 15.9794; 9.953; 26.42
90; 91.365; 90
1571.9Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101297 CIF
Paper
C16 H18 OP 3 1 c13.9232; 13.9232; 12.02
90; 90; 120
2018Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101298 CIF
Paper
C13 H2 F10 OR -3 :H26.113; 26.113; 9.788
90; 90; 120
5780Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101299 CIF
Paper
C13 H2 F10 OR -3 :H26.006; 26.006; 9.5941
90; 90; 120
5619.3Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101300 CIF
Paper
C13 H12 OP 2 21 215.13; 18.65; 21.168
90; 90; 90
2025.2Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
Acta Crystallographica Section B, 1995, 51, 367-377
2101301 CIF
Paper
C9 H9 Cl O3P 1 21/c 115.301; 5.7117; 11.2462
90; 110.873; 90
918.4Larsen, S.; Marthi, K.
Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds
Acta Crystallographica Section B, 1995, 51, 338-346
2101302 CIF
Paper
C9 H9 Br O3P 1 21/c 115.498; 5.7513; 11.298
90; 111.28; 90
938.4Larsen, S.; Marthi, K.
Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds
Acta Crystallographica Section B, 1995, 51, 338-346
2101303 CIF
Paper
C7 H16 N2 O4P 1 21 15.431; 7.546; 12.095
90; 93.42; 90
494.8Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of <small>DL</small>- and <small>L</small>-lysine formate
Acta Crystallographica Section B, 1995, 51, 353-358
2101304 CIF
Paper
C7 H16 N2 O4P 1 21/c 110.205; 11.152; 8.481
90; 97.51; 90
956.9Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of <small>DL</small>- and <small>L</small>-lysine formate
Acta Crystallographica Section B, 1995, 51, 353-358
2101305 CIF
Paper
C9 H11 N O4P 1 21 113.619; 5.232; 6.062
90; 97.56; 90
428.2Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A.
Experimental and theoretical determination of electronic properties in <small>L</small>-dopa
Acta Crystallographica Section B, 1995, 51, 328-337
2101306 CIF
Paper
Al2 O4 PbA m a 28.458; 9.234; 5.07
90; 90; 90
395.973Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101307 CIF
Paper
Ga2 O4 PbA m a 28.575; 9.424; 5.22
90; 90; 90
421.832Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101308 CIF
Paper
C45 H86 Br10 In4 N4 Ni6 O11C 1 2/c 122.869; 13.198; 26.775
90; 107.96; 90
7687.58Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101309 CIF
Paper
H9.5 K2.5 O26 Pt W6C 1 2/m 111.427; 19.832; 13.674
89.99; 101.36; 89.99
3038.1Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101310 CIF
Paper
C14 H26 Cu N2 O9P 43 21 27.217; 7.217; 34.553
90; 90; 90
1799.7Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101311 CIF
Paper
C6 H16 Co N5 O7A m a 212.717; 12.206; 7.717
90; 90; 90
1197.86Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101312 CIF
Paper
C6 H10 Cl2 N3 Ni O14P n m a25.735; 11.124; 11.461
90; 90; 90
3281Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101313 CIF
Paper
Ba2 H24 O28 P8 Pt2P 1 21/c 19.5452; 19.459; 7.6611
90; 90.758; 90
1422.8Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101314 CIF
Paper
Ba3 P4 Sn2P 1 21/c 17.886; 19.278; 7.869
90; 112.8; 90
1102.8Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101315 CIF
Paper
C14 H25 Cu N3 O16P -110.593; 12.454; 7.923
102.64; 107.4; 83.68
972.12Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101316 CIF
Paper
Cs6 O36 W11R -3 c :H7.261; 7.261; 110.58
90; 90; 120
5048.94Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101317 CIF
Paper
Cs6 O36 W11R -3 cr {rhombohedral axes}37.097; 37.097; 37.097
90; 90; 90
51052.4Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101318 CIF
Paper
K2 O4 SP m c n5.7704; 10.0712; 7.4776
90; 90; 90
434.56Ojima, K.; Nishihata, Y.; Sawada, A.
Structure of potassium sulfate at temperatures from 296 K down to 15 K
Acta Crystallographica, Section B: Structural Science, 1995, 51, 287-293
2101319 CIF
Paper
K2 O4 SP m c n5.7503; 10.0395; 7.4513
90; 90; 90
430.16Ojima, K.; Nishihata, Y.; Sawada, A.
Structure of potassium sulfate at temperatures from 296 K down to 15 K
Acta Crystallographica, Section B: Structural Science, 1995, 51, 287-293
2101320 CIF
Paper
K2 O4 SP m c n5.7303; 10.01; 7.4291
90; 90; 90
426.14Ojima, K.; Nishihata, Y.; Sawada, A.
Structure of potassium sulfate at temperatures from 296 K down to 15 K
Acta Crystallographica, Section B: Structural Science, 1995, 51, 287-293
2101321 CIF
Paper
K2 O4 SP m c n5.7224; 10; 7.4226
90; 90; 90
424.73Ojima, K.; Nishihata, Y.; Sawada, A.
Structure of potassium sulfate at temperatures from 296 K down to 15 K
Acta Crystallographica, Section B: Structural Science, 1995, 51, 287-293
2101322 CIF
Paper
K2 O4 SP m c n5.7226; 9.9985; 7.4218
90; 90; 90
424.66Ojima, K.; Nishihata, Y.; Sawada, A.
Structure of potassium sulfate at temperatures from 296 K down to 15 K
Acta Crystallographica, Section B: Structural Science, 1995, 51, 287-293
2101323 CIF
Paper
C30 H42 Ag N3 O8P 1 21/c 110.479; 15.751; 19.177
90; 110.2; 90
2970.6Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H.
Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex
Acta Crystallographica Section B, 1995, 51, 293-300
2101324 CIF
Paper
C32 H45 Ag N3 O7.5C 1 2/c 134.545; 10.035; 38.188
90; 98.83; 90
13081.3Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H.
Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex
Acta Crystallographica Section B, 1995, 51, 293-300
2101325 CIF
Paper
C31 H23 Cl O13P 21 21 2120.23; 18.921; 8.205
90; 90; 90
3140.6Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.
The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4
Acta Crystallographica Section B, 1995, 51, 308-314
2101326 CIF
Paper
C31 H23 Cl O14P 21 21 2120.585; 18.721; 8.206
90; 90; 90
3162.4Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.
The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4
Acta Crystallographica Section B, 1995, 51, 308-314
2101327 CIF
Paper
C46 H80 N4 O14P 110.3796; 14.5809; 17.1521
105.225; 96.14; 90.248
2489Sheldrick, G. M.; Kojić-Prodić, B.; Banić, Z.; Kobrehel, G.; Kujundzić, N.
Structure of 9-deoxo-9a-<i>N</i>-[<i>N</i>'-(4-pyridyl)-carbamoyl]-9a-aza-9a-homoerythromycin A and conformational analysis of analogous 9a-aza 15-membered azalides in the solid state
Acta Crystallographica Section B, 1995, 51, 358-366
2101328 CIF
Paper
B17 Be N2P 63/m m c2.2853; 2.2853; 3.5842
90; 90; 120
16.211Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M.
Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method
Acta Crystallographica Section B, 1995, 51, 580-591
2101329 CIF
Paper
C16 H10 O2P 1 21/n 19.048; 12.6658; 9.6516
90; 94.344; 90
1102.9Destro, R.; Merati, F.
Bond lengths, and beyond
Acta Crystallographica Section B, 1995, 51, 559-570
2101330 CIF
Paper
C16 H24 Br2 N2 O3P 21 21 2128.9; 8.747; 7.585
90; 90; 90
1917.4Stensland, B.; Csöregh, I.; Högberg, T.
Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463
Acta Crystallographica Section B, 1995, 51, 847-856
2101331 CIF
Paper
C17 H27 Br N2 O7 SP 1 21 115.264; 8.087; 8.541
90; 93.44; 90
1052.4Stensland, B.; Csöregh, I.; Högberg, T.
Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463
Acta Crystallographica Section B, 1995, 51, 847-856
2101332 CIF
Paper
C7 H7 N OP 1 21/c 15.549; 5.033; 21.548
90; 89.22; 90
601.7Ruble, J. R.; Galvao, A.
Electrostatic potentials from charge-density studies of benzamide at 123 K
Acta Crystallographica Section B, 1995, 51, 835-838
2101333 CIF
Paper
C22 H16 Ag N2 O8 S8P -14.0355; 16.7566; 10.2335
82.49; 81.12; 91.1
677.3Li, R.; Petrícek, V.; Cisarova, I.; Coppens, P.
Analysis of the diffraction pattern of a twinned crystal of (3,4;3',4'-bis(ethylenedioxo)-2,2',5,5'-tetrathiafulvalene)~2~.Ag(CN)~2~
Acta Crystallographica Section B, 1995, 51, 798-802
2101334 CIF
Paper
C26 H19 Cl3 Cu F12 S16P n m a12.918; 37.899; 8.487
90; 90; 90
4155.1Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.
Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]
Acta Crystallographica Section B, 1995, 51, 789-797
2101335 CIF
Paper
C26 H19 Ag Cl3 F12 S16P n m a12.936; 37.976; 8.526
90; 90; 90
4188.5Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.
Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]
Acta Crystallographica Section B, 1995, 51, 789-797
2101336 CIF
Paper
C24 H38 I6 N6P -18.226; 8.393; 13.878
85.28; 74.54; 87.96
920.3Bailey, R. D.; Pennington, W. T.
Tetramethylpyrazinium polyiodides
Acta Crystallographica Section B, 1995, 51, 810-815
2101337 CIF
Paper
C30 H40 I6 N4 O4P 1 21/n 17.679; 12.52; 10.774
90; 100.6; 90
1018.1Bailey, R. D.; Pennington, W. T.
Tetramethylpyrazinium polyiodides
Acta Crystallographica Section B, 1995, 51, 810-815
2101338 CIF
Paper
C8 H15 I5 N2 OP -18.206; 9.228; 13.936
77.76; 85.23; 65.88
941.3Bailey, R. D.; Pennington, W. T.
Tetramethylpyrazinium polyiodides
Acta Crystallographica Section B, 1995, 51, 810-815
2101339 CIF
Paper
C17 H26 Cl N O3P 1 21/n 116.763; 10.1619; 21.503
90; 97.758; 90
3629.4Sui, X.; Codding, P. W.
Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents
Acta Crystallographica Section B, 1995, 51, 803-810
2101340 CIF
Paper
C22 H26 Cl N O5P 1 21/c 115.684; 6.4228; 22.249
90; 109.656; 90
2110.7Sui, X.; Codding, P. W.
Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents
Acta Crystallographica Section B, 1995, 51, 803-810
2101341 CIF
Paper
C24 H27 N O8P -18.3651; 25.628; 5.589
95.447; 106.614; 82.653
1136.58Sui, X.; Codding, P. W.
Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents
Acta Crystallographica Section B, 1995, 51, 803-810

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