Crystallography Open Database

Result : There are 55 entries in the selection

You can download the COD numbers of the selection as a text file

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Searching journal of publication like 'IUCrJ' volume of publication is 1

COD ID: 1513566
CIF file

HKL data

 Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2039.77
Cell parameters: 11.0104; 10.0398; 18.604; 90; 97.32; 90;  

COD ID: 1513567
CIF file Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2014.7
Cell parameters: 10.978; 10.006; 18.488; 90; 97.223; 90;  

COD ID: 1513568
CIF file Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2070.5
Cell parameters: 11.047; 10.129; 18.652; 90; 97.223; 90;  

COD ID: 1513569
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P -1
Cell volume: 910.38
Cell parameters: 8.7711; 10.0113; 12.0057; 67.978; 78.03; 69.224;  

COD ID: 1513570
CIF file

HKL data

 Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 5500.2
Cell parameters: 9.2233; 36.2938; 16.5853; 90; 97.827; 90;  

COD ID: 1513572
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1851
Cell parameters: 9.0828; 12.3446; 16.6095; 90; 96.32; 90;  

COD ID: 1513573
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1861.08
Cell parameters: 9.118; 12.3427; 16.64; 90; 96.381; 90;  

COD ID: 1513574
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1893.04
Cell parameters: 9.1938; 12.3828; 16.7311; 90; 96.358; 90;  

COD ID: 1513575
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 5465.9
Cell parameters: 9.2118; 36.2075; 16.5458; 90; 97.923; 90;  

COD ID: 1513576
CIF file Formula: - C17 H16 N2 O2 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/c 1
Cell volume: 5833
Cell parameters: 17.8201; 8.3288; 39.3222; 90; 91.901; 90;  

COD ID: 1513577
CIF file

HKL data

 Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2588.9
Cell parameters: 26.127; 26.127; 3.7926; 90; 90; 90;  

COD ID: 1513578
CIF file Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2615.6
Cell parameters: 26.186; 26.186; 3.8144; 90; 90; 90;  

COD ID: 1513579
CIF file Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2654.7
Cell parameters: 26.251; 26.251; 3.8524; 90; 90; 90;  

COD ID: 1513580
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2709.8
Cell parameters: 26.419; 26.419; 3.8824; 90; 90; 90;  

COD ID: 1513581
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2732.7
Cell parameters: 26.465; 26.465; 3.9017; 90; 90; 90;  

COD ID: 1513582
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2816
Cell parameters: 26.65; 26.65; 3.965; 90; 90; 90;  

COD ID: 1513583
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 678.8
Cell parameters: 11.457; 4.1113; 15.233; 90; 108.905; 90;  

COD ID: 1513584
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 724
Cell parameters: 11.222; 4.263; 15.81; 90; 106.933; 90;  

COD ID: 1513585
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 731.2
Cell parameters: 11.242; 4.286; 15.87; 90; 107.016; 90;  

COD ID: 1513586
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 740
Cell parameters: 11.26; 4.321; 15.88; 90; 106.74; 90;  

COD ID: 1513587
CIF file Formula: - C6 H4 Br2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 700.5
Cell parameters: 11.169; 4.2067; 14.911; 90; 91.07; 90;  

COD ID: 1513588
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 834.1
Cell parameters: 4.9531; 24.02; 8.007; 90; 118.88; 90;  

COD ID: 1513589
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 843.8
Cell parameters: 4.9712; 24.094; 8.0459; 90; 118.884; 90;  

COD ID: 1513590
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 855.9
Cell parameters: 4.979; 24.298; 8.0971; 90; 119.108; 90;  

COD ID: 1513591
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 331.03
Cell parameters: 3.8017; 6.1607; 14.208; 92.417; 94.718; 92.286;  

COD ID: 1513592
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 333.63
Cell parameters: 3.8208; 6.1785; 14.209; 92.591; 94.866; 91.978;  

COD ID: 1513593
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 341.2
Cell parameters: 3.8686; 6.227; 14.243; 92.794; 95.149; 91.493;  

COD ID: 1542840
CIF file

HKL data

 Formula: - C27 H29 Cl N2 O7 -
Comments: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ 1(2) (2014) 136-150
Space group: P -1
Cell volume: 1291.3
Cell parameters: 11.9406; 21.3081; 5.103; 92.373; 93.003; 85.308;  

COD ID: 1542841
CIF file

HKL data

 Formula: - C27 H24 Cl N3 O7 -
Comments: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ 1(2) (2014) 136-150
Space group: P 1 21 1
Cell volume: 1264.16
Cell parameters: 11.89; 4.9621; 21.4281; 90; 90.663; 90;  

COD ID: 1542842
CIF file

HKL data

 Formula: - C28 H25 Cl N2 O8 -
Comments: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ 1(2) (2014) 136-150
Space group: P 1 21 1
Cell volume: 1289.7
Cell parameters: 16.959; 4.7993; 17.285; 90; 113.55; 90;  

COD ID: 1542843
CIF file

HKL data

 Formula: - C27 H24 Cl N3 O7 -
Comments: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ 1(2) (2014) 136-150
Space group: P 1 21 1
Cell volume: 1285.4
Cell parameters: 21.7202; 5.0077; 11.8457; 90; 93.954; 90;  

COD ID: 1542844
CIF file

HKL data

 Formula: - C46 H46 Cl2 N4 O12 -
Comments: Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ 1(2) (2014) 136-150
Space group: P -1
Cell volume: 1082.2
Cell parameters: 7.3994; 25.6703; 5.8254; 90.162; 98.598; 98.315;  

COD ID: 1542845
CIF file

Original IUCr paper

 Formula: - C12 H9 Cl4 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 688.2
Cell parameters: 7.0243; 9.4152; 10.928; 82.75; 79.147; 76.703;  

COD ID: 1542846
CIF file

Original IUCr paper

 Formula: - C12 H9 Cl4 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P 1 21/c 1
Cell volume: 1348.3
Cell parameters: 6.9676; 21.336; 9.1861; 90; 99.139; 90;  

COD ID: 1542847
CIF file

Original IUCr paper

 Formula: - C12 H8 Cl5 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P 1 21 1
Cell volume: 1424.3
Cell parameters: 7.0572; 15.4665; 13.2112; 90; 98.98; 90;  

COD ID: 1542848
CIF file

Original IUCr paper

 Formula: - C12 H8 Cl5 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: I 1 2/a 1
Cell volume: 2958.3
Cell parameters: 22.638; 7.2553; 18.013; 90; 90.767; 90;  

COD ID: 1542849
CIF file

Original IUCr paper

 Formula: - C12 H7 Cl5 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 719.36
Cell parameters: 7.0681; 9.5008; 11.4095; 85.402; 83.071; 71.211;  

COD ID: 1542850
CIF file

Original IUCr paper

 Formula: - C12 H9 Br Cl3 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 700
Cell parameters: 7.0562; 9.373; 11.11; 83.358; 79.173; 76.588;  

COD ID: 1542851
CIF file

Original IUCr paper

 Formula: - C12 H9 Cl3 I N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 724.5
Cell parameters: 7.083; 9.354; 11.456; 84.118; 79.555; 76.553;  

COD ID: 1542852
CIF file

Original IUCr paper

 Formula: - C12 H7 Cl4 I N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 750.4
Cell parameters: 7.107; 9.498; 11.827; 85.425; 81.804; 71.851;  

COD ID: 1542853
CIF file

Original IUCr paper

 Formula: - C12 H9 Cl4 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P 1 21/c 1
Cell volume: 1328
Cell parameters: 7.851; 11.865; 14.891; 90; 106.79; 90;  

COD ID: 1542854
CIF file

Original IUCr paper

 Formula: - C12 H9 Cl4 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 664.8
Cell parameters: 7.208; 9.333; 10.884; 99.035; 107.107; 102.219;  

COD ID: 1542855
CIF file

Original IUCr paper

 Formula: - C12 H8 Cl5 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 735.06
Cell parameters: 7.1441; 9.3027; 11.8726; 77.966; 74.889; 77.979;  

COD ID: 1542856
CIF file

Original IUCr paper

 Formula: - C12 H8 Cl5 N O -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 713.76
Cell parameters: 7.206; 9.2558; 11.3203; 99.693; 99.616; 101.387;  

COD ID: 1542857
CIF file

Original IUCr paper

 Formula: - C14 H14 N2 O4 -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: C 1 2/c 1
Cell volume: 2570
Cell parameters: 24.698; 5.1072; 20.6682; 90; 99.673; 90;  

COD ID: 1542858
CIF file

Original IUCr paper

 Formula: - C14 H14 N2 O4 -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P 1 21/c 1
Cell volume: 1274
Cell parameters: 12.41; 5.124; 20.06; 90; 92.901; 90;  

COD ID: 1542859
CIF file

Original IUCr paper

 Formula: - C14 H14 N2 O5 -
Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239
Space group: P -1
Cell volume: 661.2
Cell parameters: 4.76; 11.501; 12.539; 77.081; 86.975; 81.302;  

COD ID: 1542860
CIF file Formula: - C44 H40 Ag2 N12 O8 -
Comments: Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ 1(5) (2014) 318-327
Space group: P b c m
Cell volume: 11716
Cell parameters: 12.6641; 26.23; 35.269; 90; 90; 90;  

COD ID: 1542861
CIF file Formula: - C24 H20 Ag F3 N6 O11 -
Comments: Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ 1(5) (2014) 318-327
Space group: I b a m
Cell volume: 5922.6
Cell parameters: 6.4005; 26.426; 35.016; 90; 90; 90;  

COD ID: 1543051
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P 21/n
Cell volume: 743.3
Cell parameters: 11.58792; 12.2101; 5.25364; 90; 90.5649; 90;  

COD ID: 1543052
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P b c a
Cell volume: 1465.27
Cell parameters: 14.1313; 11.0757; 9.36191; 90; 90; 90;  

COD ID: 1543053
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P 21 21 21
Cell volume: 1443.58
Cell parameters: 14.01476; 11.03782; 9.33193; 90; 90; 90;  

COD ID: 1543054
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P c a 21
Cell volume: 722.03
Cell parameters: 11.8577; 7.01486; 8.68032; 90; 90; 90;  

COD ID: 1543055
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P 21
Cell volume: 373.338
Cell parameters: 6.86637; 9.12272; 6.21914; 90; 106.596; 90;  

COD ID: 1543056
CIF file

HKL data

 Formula: - C6 H12 O6 -
Comments: Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ 1(1) (2013) 61-73
Space group: P 21/c
Cell volume: 712.7
Cell parameters: 10.1435; 8.1542; 8.6239; 90; 92.3556; 90;  


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