Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 13

COD ID: 1577467
CIF file Formula: - C4 H2 -
Comments: Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ 13(1) (2026) 94-104
Space group: P n m a
Cell volume: 317.69
Cell parameters: 9.3478; 5.989; 5.6746; 90; 90; 90;  

COD ID: 1577468
CIF file Formula: - C4 H2 -
Comments: Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ 13(1) (2026) 94-104
Space group: P n m a
Cell volume: 323.1
Cell parameters: 9.363; 6.0522; 5.7013; 90; 90; 90;  

COD ID: 1577469
CIF file Formula: - C4 H2 -
Comments: Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ 13(1) (2026) 94-104
Space group: P n m a
Cell volume: 332.9
Cell parameters: 9.378; 6.1622; 5.7605; 90; 90; 90;  

COD ID: 1577470
CIF file Formula: - C4 H2 -
Comments: Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ 13(1) (2026) 94-104
Space group: P n m a
Cell volume: 339.98
Cell parameters: 9.3989; 6.2398; 5.7971; 90; 90; 90;  


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