Crystallography Open Database

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2005170 CIF
Paper
C8 H16 N2 O3P 6114.424; 14.424; 9.996
90; 90; 120
1801.1Görbitz, C. H.; Gundersen, E.
<small>L</small>-Valyl-<small>L</small>-alanine
Acta Crystallographica Section C, 1996, 52, 1764-1767
2005376 CIF
Paper
C26 H36 O9P 6117.172; 17.172; 14.965
90; 90; 120
3822Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.
21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate
Acta Crystallographica Section C, 1996, 52, 2288-2290
2009721 CIF
Paper
C21 H30 O2P 6121.938; 21.938; 6.87
90; 90; 120
2863.4Puliti, R.; De Rosa, S.; Mattia, C. A.
Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i>
Acta Crystallographica Section C, 1994, 50, 830-833
2013579 CIF
HKL
Paper
C8 H16 N2 O3 SP 6137.6488; 37.6488; 9.6613
90; 90; 120
11859.6Görbitz, Carl Henrik
<small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7
Acta Crystallographica Section C, 2003, 59, o589-o592
2015632 CIF
HKL
Paper
C5 H8 Co N2 O8.72P 6113.4646; 13.4646; 9.8777
90; 90; 120
1550.9Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali
<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]
Acta Crystallographica Section C, 2006, 62, m513-m515
2018557 CIF
HKL
Paper
C22 H28 O8P 6118.2223; 18.2223; 11.2387
90; 90; 120
3231.9Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe
Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)
Acta Crystallographica Section C, 2012, 68, o320-o322
2019777 CIF
HKL
Paper
C11 H13 N3 OP 617.4519; 7.4519; 31.8705
90; 90; 120
1532.69Mnguni, Malitsatsi J.; Lemmerer, Andreas
A structural study of 4-aminoantipyrine and six of its Schiff base derivatives
Acta Crystallographica Section C, 2015, 71
2019896 CIF
HKL
Paper
C16 H15.5 Cd2 N12 O5.75P 6113.3384; 13.3384; 24.957
90; 90; 120
3845.3Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang
A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains
Acta Crystallographica Section C, 2015, 71
2021264 CIF
HKL
Paper
C36 H25 Eu N6 O14P 6114.981; 14.981; 27.897
90; 90; 120
5422Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021266 CIF
HKL
Paper
C36 H25 Gd N6 O14P 6114.9709; 14.9709; 27.952
90; 90; 120
5425.5Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021268 CIF
HKL
Paper
C36 H25 Dy N6 O14P 6114.9066; 14.9066; 27.948
90; 90; 120
5378.2Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021270 CIF
HKL
Paper
C36 H25 N6 O14 TbP 6114.962; 14.962; 27.974
90; 90; 120
5423.3Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2100579 CIF
Paper
C15 H18 O6P 6111.3588; 11.3588; 20.2725
90; 90; 120
2265.18Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100990 CIF
Paper
C4 H12 Br3 Cd NP 619.219; 9.219; 20.86
90; 90; 120
1535.4Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.
X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)
Acta Crystallographica Section B, 1993, 49, 691-698
2102921 CIF
Paper
B2 H8 MgP 6110.3414; 10.3414; 37.086
90; 90; 120
3434.8Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~
Acta Crystallographica Section B, 2007, 63, 561-568
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
2105528 CIF
Paper
C24 H39 N O3P 6114.564; 14.564; 20.282
90; 90; 120
3725.7Maurin, J. K.
Oxime‒Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes'
Acta Crystallographica Section B, 1998, 54, 866-871
2105591 CIF
Paper
C32 H36 N2 Ni O8P 6118.498; 18.498; 16.328
90; 90; 120
4838.5Główka, M. L.; Olczak, A.; Karolak-Wojciechowska, J.; Ciechanowska-Urbańska, E.
Classification and Distortion in Six-Coordinate Bis(salicylaldiminato)nickel(II) Complexes: Crystal Structure of Bis[2-[[(2-hydroxyphenyl)methylene]amino]-1-phenyl-1,3-propanediolato]nickel(II).2H~2~O
Acta Crystallographica Section B, 1998, 54, 250-256
2106212 CIFC4 H2 Cs2 N4 O PtP 619.709; 9.709; 19.343
90; 90; 120
1579.08Johnson, P.L.; Koch, T.R.; Williams, J.M.
Structural studies of precursor and partially oxidized conducting complexes. VI. A neutron diffraction study of dicesium tetracyano-platinate(II) monohydrate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1293-1295
2106380 CIFIn2 Se3P 617.11; 7.11; 19.34
90; 90; 120
846.694Likforman, A.; Hillel, R.; Carre, D.
Structure cristalline du seleniure d'indium In2 Se3
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1-5
2107320 CIFBa H2 N2 O5P 617.07; 7.07; 17.886
90; 90; 120
774.253Thomas, P.A.; Gomez, E.
Absolute chirality and crystal structure of barium nitrite monohydrate, Ba (N O2)2 (H2 O)
Acta Crystallographica B (39,1983-), 1989, 45, 348-355
2201003 CIF
HKL
Paper
C19 H17 Cl N2 O3P 6111.075; 11.075; 24.4
90; 90; 120
2592Višnjevac, Aleksandar; Avdagić, Amir; Kojić-Prodić, Biserka
3(<i>S</i>)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2<i>H</i>-1,4-benzodiazepin-2-one
Acta Crystallographica Section E, 2002, 58, o148-o150
2209906 CIF
HKL
Paper
C16 H30 O5P 619.9315; 9.9315; 29.113
90; 90; 120
2486.8Xiao-Lan Wang; Shu-Lin Peng; Jian Liang; Kai-Bei Yu
(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol methanol solvate: a new sesquiterpenoid from <i>Chrysanthemum indicum</i> L.
Acta Crystallographica Section E, 2006, 62, o3570-o3571
2212583 CIF
HKL
Paper
C16 H17 Cl O2 SnP 6110.8105; 10.8105; 25.8402
90; 90; 120
2615.28Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng
A hexagonal modification of <i>catena</i>-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2007, 63, m913-m914
2214505 CIF
HKL
Paper
C10 H18 N2 O9 S ZnP 6111.4275; 11.4275; 20.9322
90; 90; 120
2367.27Ng, Seik Weng
A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Acta Crystallographica Section E, 2007, 63, m2225-m2226
2214614 CIF
HKL
Paper
C19 H22 I NP 619.773; 9.773; 32.63
90; 90; 120
2699Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis
(3<i>R</i>,4<i>S</i>)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide
Acta Crystallographica Section E, 2007, 63, o3355-o3355
2216482 CIF
HKL
Paper
C18 H14 I N O4P 6110.1246; 10.1246; 29.528
90; 90; 120
2621.3Wu, Zhou; Shen, Peng; Jiang, Shende
(<i>S</i>)-Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate
Acta Crystallographica Section E, 2007, 63, o4871-o4871
2226088 CIF
HKL
Paper
C35 H42 O14P 6117.7635; 17.7635; 19.6294
90; 90; 120
5364.1Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha
Xyloccensin E
Acta Crystallographica Section E, 2010, 66, o1348-o1349
2228742 CIF
HKL
Paper
C18 H20 N2 OP 6110.1838; 10.1838; 25.965
90; 90; 120
2332.1Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M.
(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Acta Crystallographica Section E, 2011, 67, o67
2229228 CIF
HKL
Paper
C28 H24 N4 O4P 6120.753; 20.753; 10.446
90; 90; 120
3896.2Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías
1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
Acta Crystallographica Section E, 2011, 67, o308-o309
2230280 CIF
HKL
Paper
C13 H21 N O8P 6113.2581; 13.2581; 16.462
90; 90; 120
2506Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin
1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-<small>D</small>-allofuranose
Acta Crystallographica Section E, 2011, 67, o1402
2231406 CIF
HKL
Paper
C50 H70 Br2 Cu3 N10 O6P 6118.745; 18.745; 28.2531
90; 90; 120
8597.4Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma
μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate
Acta Crystallographica Section E, 2011, 67, m1197-m1198
2233368 CIF
HKL
Paper
C3 H4 N2 O2 SP 6111.924; 11.924; 20.111
90; 90; 120
2476.3Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju
5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2012, 68, o475
2234816 CIF
HKL
Paper
C15.33 H21.67 N OP 6116.9133; 16.9133; 8.4451
90; 90; 120
2092.15Berger, Matthias; Bats, Jan W.; Auner, Norbert
<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate
Acta Crystallographica Section E, 2012, 68, o1565
2237708 CIF
HKL
Paper
C14 H16 Cl N O2P 6117.075; 17.075; 9.4536
90; 90; 120
2387Jin, Xiu-Dan; Wu, Jin-Long
2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide
Acta Crystallographica Section E, 2013, 69, o505
2238695 CIF
Paper
C7 H13 N OP 616.2076; 6.2076; 29.8731
90; 90; 120
996.92Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle
(<i>R</i>)-({-})-Quinuclidin-3-ol
Acta Crystallographica Section E, 2013, 69, o1672
2240190 CIF
HKL
C14 H13 Cl N2 O2 SP 6110.8907; 10.8907; 21.4542
90; 90; 120
2203.71Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.
Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph
Acta Crystallographica Section E, 2014, 70, o1250-o1251
3000010 CIFK4 O7 P2P 6110.21145; 10.21145; 42.6958
90; 90; 120
3855.59Armel Le Bail; Thomas Hansen; Wilson A. Crichton
Tetrapotassium pyrophosphates gamma and delta-K4P2O7
Powder Diffraction, 2013, 28, 2-12
4000975 CIFC11 H44 In6 N11 Te9P 6111.6147; 11.6147; 51.9135
90; 90; 120
6064.9Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.
A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation
Chemistry of Materials, 2009, 21, 12
4020882 CIFC42 H42 O9P 6116.367; 16.367; 23.64
90; 90; 120
5483.9Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié
Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles
Journal of Organic Chemistry, 2004, 69, 2526-2531
4021070 CIFC44 H34 Co F6 N O3 PdP 6111.4413; 11.4413; 50.149
90; 90; 120
5685.2Stefan F. Kirsch; Larry E. Overman; Mary P. Watson
Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates
Journal of Organic Chemistry, 2004, 69, 8101-8104
4021497 CIFC14 H25 Cl OP 6112.447; 12.447; 49.29
90; 90; 120
6613R. Brandon Miles; Chad E. Davis; Robert M. Coates
Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids
Journal of Organic Chemistry, 2006, 71, 1493-1501
4023244 CIFC23 H22 N4P 618.9977; 8.9977; 40.312
90; 90; 120
2826.4Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity
Investigation of a Flexible Enantiospecific Approach to Aziridines
Journal of Organic Chemistry, 2008, 73, 1128-1130
4027637 CIFC40 H42 Br N O7 SiP 6126.146; 26.146; 9.7191
90; 90; 120
5754Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard
Total Synthesis of Pactamycin and Pactamycate: A Detailed Account
Journal of Organic Chemistry, 2012, 77, 9458-9472
4030770 CIFC27 H22 Br N O6P 618.5221; 8.5221; 57.101
90; 90; 120
3591.4Peris, Gorka; Vedejs, Edwin
Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.
The Journal of organic chemistry, 2015, 80, 3050-3057
4030984 CIFC14 H17 F3 N2 O2P 6115.74885; 15.74885; 11.05787
90; 90; 120
2375.2Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.
Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.
The Journal of organic chemistry, 2015, 80, 5415-5427
4033666 CIFC25.75 H30 OP 6123.9466; 23.9466; 6.5821
90; 90; 120
3268.8Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher
Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.
The Journal of organic chemistry, 2019

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