Crystallography Open Database

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Searching journal of publication like 'Journal of Organic Chemistry' volume of publication is 87

COD ID: 4038989
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21/c 1
Cell volume: 3679.5
Cell parameters: 16.44; 17.2113; 14.4688; 90; 116.005; 90;  

COD ID: 4038990
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 21 21 21
Cell volume: 891.49
Cell parameters: 4.9738; 12.2716; 14.6059; 90; 90; 90;  

COD ID: 4038991
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P -1
Cell volume: 5383
Cell parameters: 16.4145; 17.1201; 19.7351; 76.729; 85.855; 89.965;  

COD ID: 4038992
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21/c 1
Cell volume: 7178.9
Cell parameters: 16.423; 17.1344; 25.7615; 90; 97.989; 90;  

COD ID: 4038993
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21 1
Cell volume: 883
Cell parameters: 4.9733; 12.1827; 14.5857; 90; 92.319; 90;  

COD ID: 4038994
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21/c 1
Cell volume: 911.61
Cell parameters: 8.3082; 13.8805; 8.052; 90; 100.967; 90;  

COD ID: 4038995
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: F d d 2
Cell volume: 3605.1
Cell parameters: 20.2505; 33.1064; 5.3773; 90; 90; 90;  

COD ID: 4038996
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21/c 1
Cell volume: 912.72
Cell parameters: 6.1658; 17.1862; 8.8111; 90; 102.164; 90;  

COD ID: 4038997
CIF file

HKL data

 Formula: - C8 H4 N8 -
Comments: 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 87 (2022) 6680-6694
Space group: P 1 21 1
Cell volume: 446.699
Cell parameters: 7.4796; 5.1345; 11.9958; 90; 104.155; 90;  

COD ID: 4038998
CIF file

HKL data

 Formula: - C25.5 H20 O5.5 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: C 2 2 21
Cell volume: 4351.12
Cell parameters: 18.3893; 18.6897; 12.66; 90; 90; 90;  

COD ID: 4038999
CIF file

HKL data

 Formula: - C25 H12 O4 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P b c a
Cell volume: 3482.34
Cell parameters: 12.8587; 8.9635; 30.2132; 90; 90; 90;  

COD ID: 4039000
CIF file

HKL data

 Formula: - C25 H12 O4 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P b c a
Cell volume: 3575.1
Cell parameters: 12.955; 9.0569; 30.47; 90; 90; 90;  

COD ID: 4039001
CIF file

HKL data

 Formula: - C16 H16 O6 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/n 1
Cell volume: 675.32
Cell parameters: 3.8692; 13.0002; 13.4342; 90; 92.021; 90;  

COD ID: 4039002
CIF file

HKL data

 Formula: - C12 H8 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/c 1
Cell volume: 426.38
Cell parameters: 3.7666; 11.9321; 9.487; 90; 90.18; 90;  

COD ID: 4039003
CIF file

HKL data

 Formula: - C13 H10 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P n m a
Cell volume: 953.03
Cell parameters: 9.4974; 20.7529; 4.8353; 90; 90; 90;  

COD ID: 4039004
CIF file

HKL data

 Formula: - C12 H4 Br4 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/n 1
Cell volume: 640.27
Cell parameters: 4.8559; 10.7212; 12.4441; 90; 98.773; 90;  

COD ID: 4039005
CIF file

HKL data

 Formula: - C12 H4 Cl4 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P -1
Cell volume: 888.83
Cell parameters: 7.4617; 10.9134; 11.5066; 81.561; 74.206; 83.191;  

COD ID: 4039006
CIF file

HKL data

 Formula: - C16 H18 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/c 1
Cell volume: 626.36
Cell parameters: 6.9048; 4.6436; 19.7929; 90; 99.258; 90;  

COD ID: 4039007
CIF file

HKL data

 Formula: - C16 H16 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/n 1
Cell volume: 609.43
Cell parameters: 5.1591; 11.0703; 10.7115; 90; 95.006; 90;  

COD ID: 4039008
CIF file

HKL data

 Formula: - C16 H16 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P 1 21/n 1
Cell volume: 623.61
Cell parameters: 5.576; 10.2185; 10.9447; 90; 90.06; 90;  

COD ID: 4039009
CIF file

HKL data

 Formula: - C22 H28 O2 -
Comments: Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry 87 (2022) 7673-7695
Space group: P b c a
Cell volume: 1890.52
Cell parameters: 9.9404; 12.579; 15.1193; 90; 90; 90;  

COD ID: 4039010
CIF file

HKL data

 Formula: - C16 H17 O2 -
Comments: 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 87 (2022) 15796-15805
Space group: P -1
Cell volume: 308.46
Cell parameters: 3.9361; 8.1328; 10.09; 103.215; 98.917; 94.489;  

COD ID: 4039011
CIF file

HKL data

 Formula: - C28 H22 Cl4 O4 -
Comments: 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 87 (2022) 15796-15805
Space group: P -1
Cell volume: 593.39
Cell parameters: 7.7126; 8.7927; 10.319; 97.989; 102.763; 115.573;  

COD ID: 4039012
CIF file

HKL data

 Formula: - C14 H11 Br2 O2 -
Comments: 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 87 (2022) 15796-15805
Space group: P -1
Cell volume: 617.66
Cell parameters: 7.8307; 8.1915; 10.2693; 75.078; 76.037; 85.769;  

COD ID: 4039013
CIF file

HKL data

 Formula: - C22 H18 Cl4 O4 -
Comments: 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 87 (2022) 15796-15805
Space group: C 1 2/m 1
Cell volume: 1027.37
Cell parameters: 19.7264; 6.2955; 8.8067; 90; 110.054; 90;  

COD ID: 4039014
CIF file

HKL data

 Formula: - C22 H18 Br4 O4 -
Comments: 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 87 (2022) 15796-15805
Space group: C 1 2/m 1
Cell volume: 1075.38
Cell parameters: 19.8053; 6.3558; 9.0498; 90; 109.266; 90;  


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