Crystallography Open Database

Result : There are 17 entries in the selection

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Searching journal of publication like 'Molecular Systems Design & Engineering'

COD ID: 1553404
CIF file Formula: - C41 H33 Cl N4 O11 -
Comments: Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I. Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study Molecular Systems Design & Engineering 1(4) (2016) 416
Space group: P -1
Cell volume: 1799.8
Cell parameters: 10.676; 12.903; 14.232; 109.594; 94.193; 100.114;  

COD ID: 1553405
CIF file Formula: - C27 H29 Cl N2 O7 -
Comments: Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I. Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study Molecular Systems Design & Engineering 1(4) (2016) 416
Space group: P -1
Cell volume: 1247.5
Cell parameters: 9.494; 11.509; 11.755; 98.007; 99.366; 94.805;  

COD ID: 1553406
CIF file Formula: - C34 H37 Cl N2 O8 -
Comments: Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I. Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study Molecular Systems Design & Engineering 1(4) (2016) 416
Space group: P 1 21/a 1
Cell volume: 2957
Cell parameters: 12.411; 21.348; 12.558; 90; 117.284; 90;  

COD ID: 1553655
CIF file Formula: - C72 H84 N12 -
Comments: Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I. A solution-processable dissymmetric porous organic cage Molecular Systems Design & Engineering 3(1) (2018) 223
Space group: R -3 :H
Cell volume: 10510
Cell parameters: 24.741; 24.741; 19.826; 90; 90; 120;  

COD ID: 1553656
CIF file Formula: - C73.1 H89.96 Cl1.55 N12 O1.89 -
Comments: Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I. A solution-processable dissymmetric porous organic cage Molecular Systems Design & Engineering 3(1) (2018) 223
Space group: R -3 :H
Cell volume: 10181
Cell parameters: 24.483; 24.483; 19.6123; 90; 90; 120;  

COD ID: 1553657
CIF file Formula: - C4 H18 N2 O22 Se6 V3 -
Comments: Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J. Understanding structural adaptability: a reactant informatics approach to experiment design Molecular Systems Design & Engineering 3(3) (2018) 473
Space group: P -1
Cell volume: 1177.8
Cell parameters: 10.0027; 10.4765; 12.2924; 74.478; 72.643; 79.707;  

COD ID: 1553658
CIF file Formula: - C4 H12 N2 O10 Se2 V2 -
Comments: Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J. Understanding structural adaptability: a reactant informatics approach to experiment design Molecular Systems Design & Engineering 3(3) (2018) 473
Space group: P 1 21/c 1
Cell volume: 597.71
Cell parameters: 10.0879; 6.2047; 10.6765; 90; 116.566; 90;  

COD ID: 1553659
CIF file Formula: - C8 H44 N4 O48 Se12 V6 -
Comments: Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J. Understanding structural adaptability: a reactant informatics approach to experiment design Molecular Systems Design & Engineering 3(3) (2018) 473
Space group: C 1 2/c 1
Cell volume: 5114
Cell parameters: 18.816; 7.934; 34.439; 90; 95.85; 90;  

COD ID: 1553660
CIF file Formula: - C8 H58.67 N6 O65.33 Se16 V8 -
Comments: Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J. Understanding structural adaptability: a reactant informatics approach to experiment design Molecular Systems Design & Engineering 3(3) (2018) 473
Space group: P 1 21/c 1
Cell volume: 6713.1
Cell parameters: 17.999; 15.658; 26.0344; 90; 113.803; 90;  

COD ID: 1553661
CIF file Formula: - C8 H43 N4 O47 Se12 V6 -
Comments: Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J. Understanding structural adaptability: a reactant informatics approach to experiment design Molecular Systems Design & Engineering 3(3) (2018) 473
Space group: P 1 21/c 1
Cell volume: 5129.9
Cell parameters: 24.713; 7.9212; 34.399; 90; 130.376; 90;  

COD ID: 1554192
CIF file Formula: - C46 H27 B N8 O -
Comments: Gotfredsen, Henrik; Kilde, Martin Drøhse; Santella, Marco; Kadziola, Anders; Nielsen, Mogens Brøndsted Fluorescence switching with subphthalocyanine-dihydroazulene dyads Molecular Systems Design & Engineering 4(1) (2019) 199
Space group: P -1
Cell volume: 1822
Cell parameters: 10.374; 12.619; 15.496; 71.92; 80.91; 71.19;  

COD ID: 1554193
CIF file Formula: - C38 H42 Cl2 N4 O10 -
Comments: Mills, Benjamin M.; Shao, Zhecheng; Flynn, Stephanie R.; Rannou, Patrice; Lindsay, David M.; Fey, Natalie; Faul, Charl F. J. Tipping the polaron‒bipolaron balance: concentration and spin effects in doped oligo(aniline)s observed by UV-vis-NIR and TD-DFT Molecular Systems Design & Engineering 4(1) (2019) 103
Space group: P 1 21/n 1
Cell volume: 1777.8
Cell parameters: 7.6185; 16.5025; 14.1512; 90; 92.267; 90;  

COD ID: 1554627
CIF file Formula: - C6 H6 N8 O9 -
Comments: Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen Customization of the molecular structure to modulate the crystal packing style of energetic materials Molecular Systems Design & Engineering 4(5) (2019) 1032
Space group: P 1 21/c 1
Cell volume: 1323.1
Cell parameters: 7.6484; 16.154; 11.156; 90; 106.283; 90;  

COD ID: 1554628
CIF file Formula: - C8 H8 N10 O14 -
Comments: Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen Customization of the molecular structure to modulate the crystal packing style of energetic materials Molecular Systems Design & Engineering 4(5) (2019) 1032
Space group: P 43 21 2
Cell volume: 1714.6
Cell parameters: 7.0912; 7.0912; 34.097; 90; 90; 90;  

COD ID: 1554629
CIF file Formula: - C6 H6 N8 O8 -
Comments: Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen Customization of the molecular structure to modulate the crystal packing style of energetic materials Molecular Systems Design & Engineering 4(5) (2019) 1032
Space group: P b c a
Cell volume: 2441.9
Cell parameters: 11.0661; 13.9316; 15.839; 90; 90; 90;  

COD ID: 1554630
CIF file Formula: - C13 H30 I N3 -
Comments: Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations Molecular Systems Design & Engineering 4(5) (2019) 1039
Space group: P 1 21/c 1
Cell volume: 1758.5
Cell parameters: 8.6068; 14.9193; 14.6169; 90; 110.458; 90;  

COD ID: 1554631
CIF file Formula: - C13 H28 Cl N3 O2 -
Comments: Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations Molecular Systems Design & Engineering 4(5) (2019) 1039
Space group: C 1 2/c 1
Cell volume: 1569.2
Cell parameters: 9.9771; 18.0751; 8.9806; 90; 104.318; 90;  


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