Crystallography Open Database
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Searching journal of publication like 'Journal of Organic Chemistry'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4038945 | CIF HKL | C20 H14 O6 | P -6 2 c | 13.3732; 13.3732; 10.8212 90; 90; 120 | 1676.01 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. The Journal of organic chemistry, 2018, 83, 15426-15437 |
| 4038946 | CIF | C108 H162 N20 O26 S8 | P -1 | 11.154; 14.2902; 19.7538 100.214; 90.119; 95.774 | 3082.4 | Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes. The Journal of organic chemistry, 2017, 82, 8536-8547 |
| 4038947 | CIF | C10 H4 N4 S2 | P 1 21/c 1 | 7.8092; 17.4192; 6.8514 90; 95.335; 90 | 927.96 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038948 | CIF | C14 H4 N4 O2 S2 | P 1 21/n 1 | 3.8045; 9.6098; 16.4052 90; 92.4211; 90 | 599.25 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038949 | CIF | C25 H8 N8 S4 | P 1 2/c 1 | 13.1602; 12.283; 14.3308 90; 111.651; 90 | 2153.09 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038950 | CIF | C20 H8 N6 S3 | I -4 2 d | 16.3407; 16.3407; 19.0557 90; 90; 90 | 5088.22 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038951 | CIF | C109 H28 N12 S6 | P a -3 | 18.9035; 18.9035; 18.9035 90; 90; 90 | 6755 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038952 | CIF | C113 H16 N12 S12 | P a -3 | 19.504; 19.504; 19.504 90; 90; 90 | 7419.4 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038989 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.44; 17.2113; 14.4688 90; 116.005; 90 | 3679.5 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038990 | CIF HKL | C8 H4 N8 | P 21 21 21 | 4.9738; 12.2716; 14.6059 90; 90; 90 | 891.49 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038991 | CIF HKL | C8 H4 N8 | P -1 | 16.4145; 17.1201; 19.7351 76.729; 85.855; 89.965 | 5383 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038992 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.423; 17.1344; 25.7615 90; 97.989; 90 | 7178.9 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038993 | CIF HKL | C8 H4 N8 | P 1 21 1 | 4.9733; 12.1827; 14.5857 90; 92.319; 90 | 883 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038994 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 8.3082; 13.8805; 8.052 90; 100.967; 90 | 911.61 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038995 | CIF HKL | C8 H4 N8 | F d d 2 | 20.2505; 33.1064; 5.3773 90; 90; 90 | 3605.1 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038996 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 6.1658; 17.1862; 8.8111 90; 102.164; 90 | 912.72 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038997 | CIF HKL | C8 H4 N8 | P 1 21 1 | 7.4796; 5.1345; 11.9958 90; 104.155; 90 | 446.699 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038998 | CIF HKL | C25.5 H20 O5.5 | C 2 2 21 | 18.3893; 18.6897; 12.66 90; 90; 90 | 4351.12 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4038999 | CIF HKL | C25 H12 O4 | P b c a | 12.8587; 8.9635; 30.2132 90; 90; 90 | 3482.34 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039000 | CIF HKL | C25 H12 O4 | P b c a | 12.955; 9.0569; 30.47 90; 90; 90 | 3575.1 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039001 | CIF HKL | C16 H16 O6 | P 1 21/n 1 | 3.8692; 13.0002; 13.4342 90; 92.021; 90 | 675.32 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039002 | CIF HKL | C12 H8 O2 | P 1 21/c 1 | 3.7666; 11.9321; 9.487 90; 90.18; 90 | 426.38 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039003 | CIF HKL | C13 H10 O2 | P n m a | 9.4974; 20.7529; 4.8353 90; 90; 90 | 953.03 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039004 | CIF HKL | C12 H4 Br4 O2 | P 1 21/n 1 | 4.8559; 10.7212; 12.4441 90; 98.773; 90 | 640.27 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039005 | CIF HKL | C12 H4 Cl4 O2 | P -1 | 7.4617; 10.9134; 11.5066 81.561; 74.206; 83.191 | 888.83 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039006 | CIF HKL | C16 H18 O2 | P 1 21/c 1 | 6.9048; 4.6436; 19.7929 90; 99.258; 90 | 626.36 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039007 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.1591; 11.0703; 10.7115 90; 95.006; 90 | 609.43 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039008 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.576; 10.2185; 10.9447 90; 90.06; 90 | 623.61 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039009 | CIF HKL | C22 H28 O2 | P b c a | 9.9404; 12.579; 15.1193 90; 90; 90 | 1890.52 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039010 | CIF HKL | C16 H17 O2 | P -1 | 3.9361; 8.1328; 10.09 103.215; 98.917; 94.489 | 308.46 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039011 | CIF HKL | C28 H22 Cl4 O4 | P -1 | 7.7126; 8.7927; 10.319 97.989; 102.763; 115.573 | 593.39 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039012 | CIF HKL | C14 H11 Br2 O2 | P -1 | 7.8307; 8.1915; 10.2693 75.078; 76.037; 85.769 | 617.66 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039013 | CIF HKL | C22 H18 Cl4 O4 | C 1 2/m 1 | 19.7264; 6.2955; 8.8067 90; 110.054; 90 | 1027.37 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039014 | CIF HKL | C22 H18 Br4 O4 | C 1 2/m 1 | 19.8053; 6.3558; 9.0498 90; 109.266; 90 | 1075.38 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039021 | CIF HKL | C6 H12 Cl2 N4 | P 1 21/c 1 | 9.4236; 14.5883; 9.7872 90; 94.083; 90 | 1342.07 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039022 | CIF HKL | C6 H14 Cl4 N4 | P n n m | 8.0533; 9.6682; 7.3499 90; 90; 90 | 572.27 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039023 | CIF HKL | C6 H8 N4 | P n a 21 | 10.7151; 7.784; 7.291 90; 90; 90 | 608.12 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039024 | CIF HKL | C6 H10 Cl2 N4 | P 1 21/n 1 | 5.3141; 7.3724; 11.3921 90; 99.436; 90 | 440.28 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039025 | CIF HKL | C6 H10 N4 | P 1 21/c 1 | 7.7694; 5.5029; 7.4694 90; 101.064; 90 | 313.41 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039027 | CIF HKL | C28 H46 N2 O7 | I 1 2 1 | 12.8992; 6.1645; 35.2338 90; 100.471; 90 | 2755.03 | Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures Journal of Organic Chemistry, 2024, 89, 4283-4293 |
| 5000239 | CIF | C33 H50 O7 | P 21 21 21 | 7.5059; 14.199; 28.7786 90; 90; 90 | 3067.12 | Jiménez, Jorge I.; Yoshida, Wesley Y.; Scheuer, Paul J.; Lobkovsky, Emil; Clardy, Jon; Kelly, Michelle Honulactones: New Bishomoscalarane Sesterterpenes from the Indonesian Sponge Strepsichordaia aliena Journal of Organic Chemistry, 2000, 65, 6837-6840 |
| 5000243 | CIF | C19 H20 O7 | P -1 | 5.635; 10.53; 15.448 74.78; 82.51; 89.59 | 876.58 | Fahy, Eoin; Andersen, Raymond J.; Xu, Chang Fu; Clardy, Jon Annulins A and B, metabolites of the marine hydroid Garveia annulata The Journal of Organic Chemistry, 1986, 51, 5145-5148 |
| 5000245 | CIF | C25 H40 O5 | P 1 21 1 | 11.553; 9.759; 11.9 90; 114.56; 90 | 1220.29 | Capon, Robert J.; MacLeod, John K.; Willis, Anthony C. Trunculins A and B, norsesterterpene cyclic peroxides from a marine sponge, Latrunculia brevis Journal of Organic Chemistry, 1987, 52, 339-342 |
| 5000248 | CIF | C23 H31 Br O3 | P 1 21 1 | 8.545; 10.639; 11.994 90; 100.42; 90 | 1072.4 | Djura, Peter; Stierle, Donald B.; Sullivan, Brian; Faulkner, D. John; Arnold, Edward V.; Clardy, Jon Some metabolites of the marine sponges Smenospongia aurea and Smenospongia (Polyfibrospongia) echina Journal of Organic Chemistry, 1980, 45, 1435-1441} |
| 5000264 | CIF | C25 H40 O8 | P 1 21 1 | 11.816; 10.294; 21.255 90; 107.6; 90 | 2464.31 | Roussis, Vassilios; Wu, Zhongde; Fenical, William; Strobel, Scott A.; Van Duyne, Gregory D.; Clardy, Jon New anti-inflammatory pseudopterosins from the marine octocoral Pseudopterogorgia elisabethae Journal of Organic Chemistry, 1990, 55, 4916-4922 |
| 5000390 | CIF | C21 H21 F Si | P 1 21/c 1 | 16.6635; 7.8104; 14.4375 90; 101.079; 90 | 1844 | Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A. in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents The Journal of Organic Chemistry, 1999, 64, 5626-5633 |
| 5000392 | CIF | C30 H27 F S3 Si | P 1 21/c 1 | 10.3293; 17.0485; 15.3155 90; 109.324; 90 | 2545.1 | Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A. in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents The Journal of Organic Chemistry, 1999, 64, 5626-5633 |
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