Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2100992 | CIF Paper | C Ca O3 | R -3 c :H | 4.991; 4.991; 17.062 90; 90; 120 | 368.1 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R. X-ray study of the electron density in calcite, CaCo~3~ Acta Crystallographica Section B, 1993, 49, 636-641 |
| 2100993 | CIF Paper | C11 H12 Cl2 | P -1 | 6.729; 9.176; 9.49 94.49; 107.42; 103.12 | 537.7 | Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T. Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes Acta Crystallographica Section B, 1993, 49, 704-708 |
| 2100994 | CIF Paper | C13 H14 Br2 | P -1 | 7.433; 9.508; 10.12 111.69; 93.81; 100.23 | 647.1 | Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T. Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes Acta Crystallographica Section B, 1993, 49, 704-708 |
| 2100995 | CIF Paper | C50 H39 Ir N3 O P2 | P -1 | 11.549; 12.528; 16.931 91.13; 99.45; 114.87 | 2181.5 | Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B, 1993, 49, 680-685 |
| 2100996 | CIF Paper | C50 H39 Ir N3 O P2 | P -1 | 11.33; 12.337; 16.908 91.61; 99.6; 114.48 | 2108.3 | Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B, 1993, 49, 680-685 |
| 2100997 | CIF Paper | C50 H39 N3 O P2 Rh | P -1 | 11.759; 11.779; 16.352 102.21; 104.61; 94.92 | 2118.8 | Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B, 1993, 49, 680-685 |
| 2100998 | CIF Paper | C9 H12 N2 O5 S | P 21 21 21 | 6.733; 6.831; 24.486 90; 90; 90 | 1126.2 | Li, H.; Kennedy, S. D.; Goldstein, B. M. Solid-state and solution conformations of isotiazofurin: crystallographic, computational and ^1^H NMR studies Acta Crystallographica Section B, 1993, 49, 729-738 |
| 2100999 | CIF Paper | C12 H24 S4 | P b c 21 | 17.7366; 9.8219; 9.0558 90; 90; 90 | 1577.6 | Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M. Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane) Acta Crystallographica Section B, 1993, 49, 773-779 |
| 2101000 | CIF Paper | C12 H24 S4 | P 1 21 1 | 5.5605; 8.124; 17.662 90; 96.108; 90 | 793.3 | Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M. Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane) Acta Crystallographica Section B, 1993, 49, 773-779 |
| 2101001 | CIF Paper | C21 H15 N3 O2 | P 1 21 1 | 12.1646; 5.5988; 12.389 90; 90.47; 90 | 843.75 | Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B, 1993, 49, 719-726 |
| 2101002 | CIF Paper | C21 H14 Cl N3 O2 | P 1 21/a 1 | 10.9354; 14.502; 13.019 90; 114.481; 90 | 1879 | Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B, 1993, 49, 719-726 |
| 2101003 | CIF Paper | C22 H17 N3 O2 | P 1 21/c 1 | 5.618; 30.329; 10.456 90; 98.21; 90 | 1763.3 | Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B, 1993, 49, 719-726 |
| 2101004 | CIF Paper | C21 H14 Cl N3 O2 | P b c a | 13.9347; 9.6794; 25.962 90; 90; 90 | 3501.7 | Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B, 1993, 49, 719-726 |
| 2101005 | CIF Paper | C23 H18 N2 O2 | P b c a | 10.2078; 10.237; 35.676 90; 90; 90 | 3728 | Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B, 1993, 49, 719-726 |
| 2101006 | CIF Paper | C26 H20 O4 | P -1 | 10.713; 11.991; 8.177 95.71; 105.14; 79.61 | 995.81 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 754-760 |
| 2101007 | CIF Paper | C26 H20 O4 | P 1 21/n 1 | 10.206; 16.485; 11.758 90; 95.48; 90 | 1969.2 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 754-760 |
| 2101008 | CIF Paper | C26 H20 O4 | P -1 | 11.074; 25.298; 7.668 94.22; 94.53; 101.77 | 2087.6 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 754-760 |
| 2101009 | CIF Paper | C24 H23 N O5 | P 21 21 21 | 8.762; 13.984; 16.569 90; 90; 90 | 2030.2 | Lenstra, A. T. H.; Geise, H. J.; De Vos, E.; Esmans, E. L.; Alderweireldt, F. C.; Dillen, J. L. M. 2-(2,4:3,5-Di-<i>O</i>-benzylidene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>allo</i>-pentitol-1-yl)pyridine, C~24~H~23~NO~5~ Acta Crystallographica Section B, 1993, 49, 699-703 |
| 2101010 | CIF Paper | C14 H17 N3 O2 | P 1 21/c 1 | 16.48; 6.399; 13.88 90; 113.5; 90 | 1342 | Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K. Structures of two indolactams Acta Crystallographica Section B, 1993, 49, 769-773 |
| 2101011 | CIF Paper | C17 H23 N3 O2 | P 1 21/n 1 | 15.248; 17.578; 6.01 90; 92.01; 90 | 1609.9 | Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K. Structures of two indolactams Acta Crystallographica Section B, 1993, 49, 769-773 |
| 2101012 | CIF Paper | C44 H32 N4 Ni S32 | P -1 | 9.677; 10.96; 16.392 95.95; 97.85; 115.13 | 1533.7 | Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L. Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~] Acta Crystallographica Section B, 1993, 49, 685-691 |
| 2101013 | CIF Paper | C44 H32 N4 Ni S32 | P -1 | 9.721; 10.761; 16.431 95.87; 98.17; 115.71 | 1506.8 | Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L. Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~] Acta Crystallographica Section B, 1993, 49, 685-691 |
| 2101014 | CIF Paper | C10 H18 N O7 Si4 | P 6/m m m | 13.826; 13.826; 11.186 90; 90; 120 | 2138.3 | Miehe, G.; Vogt, T.; Fuess, H.; Müller, U. A study of disorder in the SiO~2~ host lattice of dodecasil 1H using synchrotron radiation Acta Crystallographica Section B, 1993, 49, 745-754 |
| 2101015 | CIF Paper | C38 H40 O8 | P 1 21/n 1 | 28.883; 15.189; 15.566 90; 100.37; 90 | 6717.3 | Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B, 1993, 49, 708-718 |
| 2101016 | CIF Paper | C38 H40 O8 | P 1 21/c 1 | 14.269; 14.862; 16.506 90; 103.21; 90 | 3407.7 | Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B, 1993, 49, 708-718 |
| 2101017 | CIF Paper | C38 H40 O8 | P 1 21/c 1 | 14.464; 14.923; 16.385 90; 102.73; 90 | 3450 | Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B, 1993, 49, 708-718 |
| 2101018 | CIF Paper | C38 H40 O8 | P 1 21/c 1 | 16.261; 15.23; 14.385 90; 96.73; 90 | 3538 | Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B, 1993, 49, 708-718 |
| 2101019 | CIF Paper | Al4 Ca Fe H2 Li Mg Na O12 Si | C 1 c 1 | 5.1138; 8.8569; 19.1851 90; 95.484; 90 | 864.96 | Kassner, D.; Baur, W. H.; Joswig, W.; Eichhorn, K.; Wendschuh-Josties, M.; Kupcik, V. A test of the importance of weak reflections in resolving a space-group ambiguity involving the presence or absence of an inversion centre Acta Crystallographica Section B, 1993, 49, 646-654 |
| 2101020 | CIF Paper | C8 H13 Ca Na2 O13 | P 1 21/n 1 | 7.989; 16.543; 11.416 90; 106.48; 90 | 1446.8 | Emge, T. J.; Oliver, J. D.; Connor, D. S.; Thoman, S. M.; Jason, M. E. Structure of disodium monocalcium tartrate monosuccinate trihydrate, Na~2~(CaTMS).3H~2~O Acta Crystallographica Section B, 1993, 49, 675-679 |
| 2101021 | CIF Paper | C47 H37 Fe O3 P Sn | P 1 21/n 1 | 17.715; 13.156; 17.749 90; 112.22; 90 | 3829 | Gibson, D. H.; Richardson, J. F.; Mbadike, O. P. 1-Carbonyl-μ-carboxylato-1κ<i>C</i>:2κ<i>O</i>:2κ<i>O</i>'-1-η^5^-indenyl-2,2,2-triphenyl-1-(triphenylphosphine)irontin Acta Crystallographica Section B, 1993, 49, 784-786 |
| 2101022 | CIF Paper | K3 Na O8 Se2 | C 1 2/c 1 | 10.162; 5.867; 15.021 90; 90; 90 | 895.6 | Fábry, J.; Breczewski, T.; Petrícek, V. Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K Acta Crystallographica Section B, 1993, 49, 826-832 |
| 2101023 | CIF Paper | K3 Na O8 Se2 | P -3 m 1 | 5.906; 5.906; 7.552 90; 90; 120 | 228.13 | Fábry, J.; Breczewski, T.; Petrícek, V. Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K Acta Crystallographica Section B, 1993, 49, 826-832 |
| 2101024 | CIF Paper | F4 K2 Ni | I 4/m m m | 4.013; 4.013; 13.088 90; 90; 90 | 210.78 | Yeh, S. K.; Wu, S. Y.; Lee, C. S.; Wang, Y. Electron-density distribution in a crystal of potassium tetrafluoronickelate, K~2~NiF~4~ Acta Crystallographica Section B, 1993, 49, 806-811 |
| 2101025 | CIF Paper | C19 H29 Co N6 O4 | P 1 21 1 | 8.712; 13.306; 9.531 90; 96.51; 90 | 1097.7 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101026 | CIF Paper | C19 H29 Co N6 O4 | P 1 21 1 | 8.746; 13.332; 9.538 90; 96.6; 90 | 1104.8 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101027 | CIF Paper | C19 H29 Co N6 O4 | P 1 21 1 | 8.777; 13.39; 9.54 90; 96.79; 90 | 1113.3 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101028 | CIF Paper | C19 H29 Co N6 O4 | P 1 21 1 | 8.818; 13.426; 9.553 90; 96.93; 90 | 1122.7 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101029 | CIF Paper | C19 H29 Co N6 O4 | P 1 21 1 | 8.818; 13.713; 9.419 90; 98.8; 90 | 1125.5 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101030 | CIF Paper | C19 H33 Co N6 O6 | P 1 21 1 | 16.783; 10.739; 6.826 90; 99.76; 90 | 1212.5 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101031 | CIF Paper | C19 H33 Co N6 O6 | P 1 21 1 | 16.938; 10.758; 6.848 90; 99.84; 90 | 1229.5 | Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B, 1993, 49, 852-859 |
| 2101032 | CIF Paper | C19 H16 O | P b c a | 17.012; 21.042; 7.6465 90; 90; 90 | 2737.2 | Desiraju, G. R.; Kashino, S.; Coombs, M. M.; Glusker, J. P. C–H···O packing motifs in some cyclopenta[<i>a</i>]phenanthrenes Acta Crystallographica Section B, 1993, 49, 880-892 |
| 2101033 | CIF Paper | Ca H2 O2 | P -3 m 1 | 3.589; 3.589; 4.9111 90; 90; 120 | 54.8 | Desgranges, L.; Grebille, D.; Calvarin, G.; Chevrier, G.; Floquet, N.; Niepce, J.-C. Hydrogen thermal motion in calcium hydroxide: Ca(OH)~2~ Acta Crystallographica Section B, 1993, 49, 812-817 |
| 2101034 | CIF Paper | C58 H47 N O12 | P 21 21 21 | 11.741; 16.155; 25.895 90; 90; 90 | 4912 | Forman, J. E.; Marsh, R. E.; Schaefer, W. P.; Dougherty, D. A. Structure of a cyclophane host molecule Acta Crystallographica Section B, 1993, 49, 892-896 |
| 2101035 | CIF Paper | C21 H17 Cl O4 | P 1 21/c 1 | 10.087; 16.207; 11.233 90; 107.64; 90 | 1750 | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 905-909 |
| 2101036 | CIF Paper | C21 H17 Cl O4 | P -1 | 13.893; 15.968; 8.191 98.13; 91.78; 99.54 | 1771.2 | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 905-909 |
| 2101037 | CIF Paper | C21 H17 Cl O4 | P 1 21/c 1 | 14.777; 8.581; 15.192 90; 112.1; 90 | 1784.8 | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B, 1993, 49, 905-909 |
| 2101038 | CIF Paper | Cu D20 N2 O14 S2 | P 1 21/a 1 | 9.393; 12.666; 6.061 90; 107.16; 90 | 689 | Figgis, B. N.; Iversen, B. B.; Larson, F. K.; Reynolds, P. A. <i>X</i>‒<i>N</i> study of the electron density in (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 9 K: flexible radial functions are vital Acta Crystallographica Section B, 1993, 49, 794-806 |
| 2101039 | CIF Paper | O3 Pb Zr | P b a m | 5.889; 11.784; 8.226 90; 90; 90 | 570.9 | Glazer, A. M.; Roleder, K.; Dec, J. Structure and disorder in single-crystal lead zirconate, PbZrO~3~ Acta Crystallographica Section B, 1993, 49, 846-852 |
| 2101040 | CIF Paper | C18 H14 O3 | P 1 21/c 1 | 13.408; 8.762; 13.431 90; 117.5; 90 | 1399.6 | Kumar, V. A.; Venkatesan, K. Studies on photochromism of a thermally stable fulgide in the crystalline state: X-ray crystallographic investigation of (<i>E</i>)-2-isopropylidene-3-(1-naphthylmethylene)succinic anhydride Acta Crystallographica Section B, 1993, 49, 896-900 |
| 2101041 | CIF Paper | C11 H16 N2 O2 | P 1 21/n 1 | 7.679; 13.368; 11.756 90; 92.62; 90 | 1205.5 | Dastidar, P.; Guru Row, T. N.; Venkatesan, K. Structural studies of `push–pull' butadienes Acta Crystallographica Section B, 1993, 49, 900-905 |
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