Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 58

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2103447 CIF
HKL
Paper
C13 H9 I N2 O2P 21 21 217.4741; 11.3487; 14.2039
90; 90; 90
1204.79Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103448 CIF
HKL
Paper
C13 H9 I N2 O2P 21 21 217.1179; 12.3905; 13.6983
90; 90; 90
1208.11Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103449 CIF
HKL
Paper
C13 H9 I N2 O2C 1 2/c 152.458; 4.3786; 23.5973
90; 114.185; 90
4944.4Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103450 CIF
HKL
Paper
C13 H9 I N2 O2P -17.2646; 11.8251; 15.0057
103.246; 98.3999; 91.6291
1238.74Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.
Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2002, 58, 864-876
2103451 CIF
Paper
C4 H2 Ba2 O9P -18.692; 9.216; 6.146
95.094; 95.492; 64.5
441.71Christensen, Axel Nørlund; Hazell, Rita Grønbæk; Madsen, Ian Charles
Synthesis and characterization of the barium oxalates BaC~2~O~4~·0.5H~2~O, α-BaC~2~O~4~ and β-BaC~2~O~4~
Acta Crystallographica Section B, 2002, 58, 808-814
2103452 CIF
HKL
Paper
C8.7 H17.05 N2.35 O3P 6114.1635; 14.1635; 9.8702
90; 90; 120
1714.74Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103453 CIF
HKL
Paper
C8 H16 N2 O3P 6114.2957; 14.2957; 9.9077
90; 90; 120
1753.53Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103454 CIF
HKL
Paper
C10 H16 N2 O3P 6114.3102; 14.3102; 9.8997
90; 90; 120
1755.7Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103455 CIF
HKL
Paper
C8.51 H15.6 N2 O3.44P 6128.7247; 28.7247; 9.9009
90; 90; 120
7074.8Görbitz, Carl Henrik
An exceptionally stable peptide nanotube system with flexible pores
Acta Crystallographica Section B, 2002, 58, 849-854
2103456 CIF
HKL
Paper
Er K2 O12 P3 TiP 21 310.1053; 10.1053; 10.1053
90; 90; 90
1031.92Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103457 CIF
HKL
Paper
K2 O12 P3 Ti YbP 21 310.0939; 10.0939; 10.0939
90; 90; 90
1028.44Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103458 CIF
HKL
Paper
K2 O12 P3 Ti YP 21 310.1318; 10.1318; 10.1318
90; 90; 90
1040.06Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103459 CIF
HKL
Paper
Cr K2 O12 P3 TiP 21 39.8001; 9.8001; 9.8001
90; 90; 90
941.22Norberg, Stefan T.
New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework
Acta Crystallographica Section B, 2002, 58, 743-749
2103460 CIF
HKL
Paper
H8 N2 O8 S2P 1 21/n 16.134; 7.9324; 7.7541
90; 94.966; 90
375.88Schmidt, Thorsten; Schmitt, Heike; Zimmermann, Herbert; Haeberlen, Ulrich; Lalowicz, Zdzisław T.; Olejniczak, Zbigniew; Oeser, Thomas
Location of the H atoms in ammonium persulphate by deuteron NMR. Verification by X-ray diffraction
Acta Crystallographica Section B, 2002, 58, 760-769
2103461 CIF
HKL
Paper
C51 H64 O4P 1 2/c 117.8141; 13.89; 17.806
90; 89.91; 90
4405.9Enright, Gary D.; Brouwer, Eric B.; Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.
A reexamination of the low-temperature crystal structure of the <i>p-tert</i>-butylcalix[4]arene‒toluene inclusion compound. Differences in spatial averaging with Cu and Mo<i>K</i>α radiation
Acta Crystallographica Section B, 2002, 58, 1032-1035
2103462 CIF
HKL
Paper
C10 H13 N O3P 1 21/c 112.421; 12.056; 13.396
90; 91.51; 90
2005.3Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103463 CIF
HKL
Paper
C22 H32 N4 O4P 1 21/c 110.697; 11.024; 9.4896
90; 100.684; 90
1099.65Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103464 CIF
HKL
Paper
C21 H29 N3 O5P 1 21/c 110.5749; 11.0221; 9.3894
90; 101.145; 90
1073.77Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103465 CIF
HKL
Paper
C20 H28 N4 O4P 1 21/c 115.893; 5.1664; 12.993
90; 113.633; 90
977.4Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103466 CIF
HKL
Paper
C18 H17 N3 O2P 1 21/c 111.2906; 24.103; 11.5526
90; 96.1484; 90
3125.8Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103467 CIF
HKL
Paper
C20 H27 N3 O5P 21 21 217.2791; 14.6277; 18.303
90; 90; 90
1948.8Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
Acta Crystallographica Section B, 2002, 58, 1057-1066
2103468 CIF
HKL
Paper
Al2 Mn3 O12 Si3I a -3 d11.63; 11.63; 11.63
90; 90; 90
1573Gramaccioli, Carlo Maria; Pilati, Tullio; Demartin, Francesco
Atomic displacement parameters for spessartine Mn~3~Al~2~Si~3~O~12~ and their lattice-dynamical interpretation
Acta Crystallographica Section B, 2002, 58, 965-969
2103469 CIF
Paper
Hg I2I 41/a m d :28.7863; 8.7863; 24.667
90; 90; 90
1904.3Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter
The structure of orange HgI~2~. I. Polytypic layer structure
Acta Crystallographica Section B, 2002, 58, 903-913
2103470 CIF
Paper
Hg I2P 42/n m c :28.7863; 8.7863; 12.334
90; 90; 90
952.2Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter
The structure of orange HgI~2~. I. Polytypic layer structure
Acta Crystallographica Section B, 2002, 58, 903-913
2103471 CIF
Paper
Hg I2I 41/a c d :212.393; 12.393; 24.889
90; 90; 90
3822.6Hostettler, Marc; Schwarzenbach, Dieter
The structure of orange HgI~2~. II. Diamond-type structure and twinning
Acta Crystallographica Section B, 2002, 58, 914-920
2103472 CIF
HKL
Paper
C6 H6 OP 1 21 111.61; 5.4416; 12.217
90; 101.47; 90
756.4Allan, David R.; Clark, Stewart J.; Dawson, Alice; McGregor, Pamela A.; Parsons, Simon
Pressure-induced polymorphism in phenol
Acta Crystallographica Section B, 2002, 58, 1018-1024
2103473 CIF
HKL
Paper
C20 H26 Cl2 N3 O5 P3P 1 21/n 117.618; 8.1109; 19.284
90; 114.44; 90
2508.7Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103474 CIF
HKL
Paper
C24 H30 F6 N3 O7 P3P 1 21/n 115.3839; 8.0685; 24.1935
90; 105.877; 90
2888.46Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103475 CIF
HKL
Paper
C32 H36 N3 O7 P3P 110.166; 12.105; 13.313
88.86; 86.54; 78.14
1600.3Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103476 CIF
HKL
Paper
C22 H32 N3 O7 P3P 1 21/n 111.8293; 10.3312; 21.6318
90; 100.203; 90
2601.84Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103477 CIF
HKL
Paper
C32 H40 N5 O6 P3P -110.519; 12.694; 14.34
114.81; 93.81; 103.59
1659.6Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103478 CIF
HKL
Paper
C28 H46 N5 O5 P3P -19.5003; 10.421; 17.1257
92.598; 90.645; 108.799
1602.79Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
Acta Crystallographica Section B, 2002, 58, 1067-1073
2103479 CIF
HKL
Paper
Nb2 O7 Sr23.9544; 26.767; 5.6961
90; 90; 90
602.92Daniels, Peter; Tamazyan, Rafael; Kuntscher, Christine A.; Dressel, Martin; Lichtenberg, Frank; van Smaalen, Sander
The incommensurate modulation of the structure of Sr~2~Nb~2~O~7~
Acta Crystallographica Section B, 2002, 58, 970-976
2103480 CIF
HKL
Paper
C9 H20 N4 O7C 1 2/c 119.559; 5.0296; 28.407
90; 90.553; 90
2794.4Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine
Acta Crystallographica Section B, 2002, 58, 1051-1056
2103481 CIF
HKL
Paper
C9 H18 N4 O6P 15.353; 6.931; 9.922
69.53; 89.035; 71.128
324.4Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine
Acta Crystallographica Section B, 2002, 58, 1051-1056
2103482 CIF
HKL
Paper
C18 H26.712 Co N6 O4P 1 21/n 115.5525; 7.5711; 18.1578
90; 98.42; 90
2115.03Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103483 CIF
HKL
Paper
C17.48 H21 Co N6 O4P 1 21/n 111.5388; 9.3751; 19.2929
90; 92.204; 90
2085.51Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103484 CIF
HKL
Paper
C17.5 H19 Co N6 O4P 1 21/n 111.5432; 9.3978; 19.5033
90; 90.992; 90
2115.4Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103485 CIF
Paper
C18 H21 Co N6 O4P 1 21/n 111.7299; 9.2358; 19.8561
90; 91.082; 90
2150.73Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103486 CIF
HKL
Paper
C18 H18 Co N6 O4P 1 21/n 111.509; 9.441; 20.033
90; 95.875; 90
2165.28Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
Acta Crystallographica Section B, 2002, 58, 986-997
2103487 CIF
Paper
C9 H6 O SP 21 21 214.0515; 10.1749; 17.6519
90; 90; 90
727.67Munshi, Parthapratim; Guru Row, T. N.
Electron density study of 2<i>H</i>-chromene-2-thione
Acta Crystallographica Section B, 2002, 58, 1011-1017
2103488 CIF
Paper
C55.5 H13.5 N0.9 O36.8P 1 21 115.4797; 25.5892; 9.2973
90; 98.976; 90
3637.7Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk
Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations
Acta Crystallographica Section B, 2002, 58, 1036-1043
2103489 CIF
Paper
C55.5 H13.5 N0.9 O36.8P 1 21 115.4797; 25.5892; 9.2973
90; 98.976; 90
3637.7Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk
Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations
Acta Crystallographica Section B, 2002, 58, 1036-1043
2103490 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.024; 13.182; 3.677
90; 90; 90
679.7Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103491 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.04; 13.208; 3.694
90; 90; 90
685Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103492 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.052; 13.224; 3.714
90; 90; 90
690.1Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103493 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.069; 13.245; 3.738
90; 90; 90
696.6Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103494 CIF
HKL
Paper
C6 H4 N2 O4P n a 2114.084; 13.292; 3.802
90; 90; 90
711.8Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech
Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene
Acta Crystallographica Section B, 2002, 58, 998-1004
2103495 CIF
HKL
Paper
C11 H17 N O3P 21 21 216.8465; 6.9702; 24.248
90; 90; 90
1157.2Langkilde, Annette; Oddershede, Jette; Larsen, Sine
Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities
Acta Crystallographica Section B, 2002, 58, 1044-1050
2103496 CIF
HKL
Paper
C11 H19 N O4P 1 21 18.0795; 5.8794; 12.852
90; 94.53; 90
608.6Langkilde, Annette; Oddershede, Jette; Larsen, Sine
Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities
Acta Crystallographica Section B, 2002, 58, 1044-1050

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