Crystallography Open Database

Result : There are 104 entries in the selection

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

You can download all files as a single ZIP archive

Searching journal of publication like 'IUCrJ' volume of publication is 12

COD ID: 1573192
CIF file

Original IUCr paper

 Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1245.8
Cell parameters: 4.5384; 20.439; 13.531; 90; 97.006; 90;  

COD ID: 1573193
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1078.8
Cell parameters: 4.2338; 19.838; 12.9059; 90; 95.613; 90;  

COD ID: 1573194
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 992.2
Cell parameters: 3.5971; 21.658; 12.7908; 90; 95.339; 90;  

COD ID: 1573195
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 948.4
Cell parameters: 3.4912; 12.687; 21.531; 91.51; 90.434; 95.82;  

COD ID: 1573196
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 911.5
Cell parameters: 3.4134; 12.5674; 21.367; 91.675; 90.433; 95.755;  

COD ID: 1573197
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 881.6
Cell parameters: 3.3501; 12.453; 21.244; 91.709; 90.417; 95.599;  

COD ID: 1573198
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 855.3
Cell parameters: 3.2931; 12.347; 21.133; 91.42; 90.439; 95.29;  

COD ID: 1573199
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 803.6
Cell parameters: 3.1883; 12.1605; 20.825; 91.99; 90.297; 95.206;  

COD ID: 1573200
CIF file Formula: - C20 H12 -
Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 763.4
Cell parameters: 3.1077; 11.995; 20.571; 91.56; 89.92; 95.171;  

COD ID: 1573201
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1352.42
Cell parameters: 7.1494; 10.9139; 17.7592; 90; 102.584; 90;  

COD ID: 1573202
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1360.48
Cell parameters: 7.17156; 10.9455; 17.7694; 90; 102.742; 90;  

COD ID: 1573203
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1370.01
Cell parameters: 7.1945; 10.9948; 17.7698; 90; 102.926; 90;  

COD ID: 1573204
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1384.7
Cell parameters: 7.2211; 11.0779; 17.7769; 90; 103.161; 90;  

COD ID: 1573205
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1403.2
Cell parameters: 7.2277; 11.248; 17.7562; 90; 103.578; 90;  

COD ID: 1573206
CIF file Formula: - C20 H14 O2 -
Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025)
Space group: P 1 21/c 1
Cell volume: 1422.71
Cell parameters: 7.2522; 11.4389; 17.705; 90; 104.385; 90;  

COD ID: 1573348
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 439.98
Cell parameters: 8.1695; 10.658; 5.0531; 90; 90; 90;  

COD ID: 1573349
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 457.54
Cell parameters: 8.35707; 10.714; 5.11006; 90; 90; 90;  

COD ID: 1573350
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 438.29
Cell parameters: 8.1572; 10.64; 5.0499; 90; 90; 90;  

COD ID: 1573351
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 429.5
Cell parameters: 8.0991; 10.54; 5.0319; 90; 90; 90;  

COD ID: 1573352
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 440.5
Cell parameters: 8.1701; 10.6651; 5.0554; 90; 90; 90;  

COD ID: 1573353
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 446.8
Cell parameters: 8.2334; 10.717; 5.0641; 90; 90; 90;  

COD ID: 1573354
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 436.28
Cell parameters: 8.1412; 10.6227; 5.0448; 90; 90; 90;  

COD ID: 1573355
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 437.85
Cell parameters: 8.1559; 10.636; 5.0475; 90; 90; 90;  

COD ID: 1573356
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 440.9
Cell parameters: 8.1865; 10.67; 5.0479; 90; 90; 90;  

COD ID: 1573357
CIF file Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 447.13
Cell parameters: 8.2501; 10.694; 5.06794; 90; 90; 90;  

COD ID: 1573358
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 450.4
Cell parameters: 8.2846; 10.697; 5.0823; 90; 90; 90;  

COD ID: 1573359
CIF file Formula: - H0 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 429.08
Cell parameters: 8.0977; 10.5415; 5.0266; 90; 90; 90;  

COD ID: 1573360
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 444.74
Cell parameters: 8.2199; 10.6921; 5.0603; 90; 90; 90;  

COD ID: 1573361
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 435.86
Cell parameters: 8.1356; 10.6329; 5.0386; 90; 90; 90;  

COD ID: 1573362
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 428.46
Cell parameters: 8.0899; 10.5425; 5.0237; 90; 90; 90;  

COD ID: 1573363
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 453.66
Cell parameters: 8.31709; 10.706; 5.09489; 90; 90; 90;  

COD ID: 1573364
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 446.89
Cell parameters: 8.2502; 10.685; 5.0695; 90; 90; 90;  

COD ID: 1573365
CIF file Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 443.53
Cell parameters: 8.2161; 10.673; 5.0579; 90; 90; 90;  

COD ID: 1573477
CIF file

Original IUCr paper

 Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1454.24
Cell parameters: 16.6633; 4.7294; 19.6488; 90; 110.091; 90;  

COD ID: 1573478
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1460.01
Cell parameters: 16.6728; 4.7388; 19.668; 90; 110.024; 90;  

COD ID: 1573479
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1459.75
Cell parameters: 16.6842; 4.7293; 19.692; 90; 110.036; 90;  

COD ID: 1573480
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1461.02
Cell parameters: 16.6876; 4.7329; 19.6859; 90; 110.002; 90;  

COD ID: 1573481
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1462.37
Cell parameters: 16.6834; 4.7362; 19.6927; 90; 109.981; 90;  

COD ID: 1573482
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1464.54
Cell parameters: 16.6852; 4.7457; 19.6763; 90; 109.949; 90;  

COD ID: 1573483
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1462.91
Cell parameters: 16.6821; 4.7392; 19.6849; 90; 109.948; 90;  

COD ID: 1573484
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1464.21
Cell parameters: 16.6868; 4.7394; 19.6945; 90; 109.936; 90;  

COD ID: 1573485
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1464.84
Cell parameters: 16.6819; 4.7422; 19.6945; 90; 109.915; 90;  

COD ID: 1573486
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1466.65
Cell parameters: 16.6847; 4.7475; 19.6847; 90; 109.844; 90;  

COD ID: 1573487
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1467.6
Cell parameters: 16.6837; 4.75; 19.6845; 90; 109.814; 90;  

COD ID: 1573488
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1468.03
Cell parameters: 16.6837; 4.7513; 19.6812; 90; 109.784; 90;  

COD ID: 1573489
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1469.11
Cell parameters: 16.68; 4.7547; 19.6846; 90; 109.773; 90;  

COD ID: 1573490
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1470.09
Cell parameters: 16.6841; 4.7564; 19.6818; 90; 109.74; 90;  

COD ID: 1573491
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1472.07
Cell parameters: 16.6798; 4.7618; 19.6808; 90; 109.657; 90;  

COD ID: 1573492
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1474.01
Cell parameters: 16.684; 4.7634; 19.6972; 90; 109.674; 90;  

COD ID: 1573493
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1484.62
Cell parameters: 16.6906; 4.7903; 19.6824; 90; 109.367; 90;  

COD ID: 1573494
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1494.53
Cell parameters: 16.692; 4.8145; 19.6756; 90; 109.059; 90;  

COD ID: 1573495
CIF file Formula: - C16 H16 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1494.62
Cell parameters: 16.6911; 4.8164; 19.6669; 90; 109.032; 90;  

COD ID: 1573496
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1429
Cell parameters: 16.6; 4.7781; 19.218; 90; 110.32; 90;  

COD ID: 1573497
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1401
Cell parameters: 16.56; 4.7226; 19.187; 90; 110.99; 90;  

COD ID: 1573498
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1466.51
Cell parameters: 16.6147; 4.8463; 19.3274; 90; 109.551; 90;  

COD ID: 1573499
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1473.05
Cell parameters: 16.6128; 4.8607; 19.3367; 90; 109.37; 90;  

COD ID: 1573500
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1356
Cell parameters: 16.55; 4.6266; 19.089; 90; 111.96; 90;  

COD ID: 1573501
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1474.07
Cell parameters: 16.6153; 4.8619; 19.34; 90; 109.35; 90;  

COD ID: 1573502
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1475.05
Cell parameters: 16.6155; 4.8646; 19.3384; 90; 109.321; 90;  

COD ID: 1573503
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1476.3
Cell parameters: 16.6252; 4.8647; 19.3379; 90; 109.278; 90;  

COD ID: 1573504
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1476.25
Cell parameters: 16.6176; 4.8671; 19.3394; 90; 109.301; 90;  

COD ID: 1573505
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1477.11
Cell parameters: 16.6174; 4.8695; 19.3375; 90; 109.268; 90;  

COD ID: 1573506
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1478.23
Cell parameters: 16.6187; 4.872; 19.3377; 90; 109.242; 90;  

COD ID: 1573507
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1479.25
Cell parameters: 16.6197; 4.8747; 19.3362; 90; 109.217; 90;  

COD ID: 1573508
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1480.54
Cell parameters: 16.6216; 4.877; 19.3388; 90; 109.193; 90;  

COD ID: 1573509
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1481.86
Cell parameters: 16.6256; 4.8792; 19.3393; 90; 109.164; 90;  

COD ID: 1573510
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1482.75
Cell parameters: 16.6268; 4.881; 19.3397; 90; 109.141; 90;  

COD ID: 1573511
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1483.73
Cell parameters: 16.6279; 4.8825; 19.3411; 90; 109.105; 90;  

COD ID: 1573512
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1326.8
Cell parameters: 16.53; 4.5612; 19.065; 90; 112.63; 90;  

COD ID: 1573513
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1486.16
Cell parameters: 16.6313; 4.8871; 19.3441; 90; 109.05; 90;  

COD ID: 1573514
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1487.7
Cell parameters: 16.6408; 4.8878; 19.3501; 90; 109.048; 90;  

COD ID: 1573515
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1306
Cell parameters: 16.48; 4.5205; 19.083; 90; 113.24; 90;  

COD ID: 1573516
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1497
Cell parameters: 16.6494; 4.9069; 19.3575; 90; 108.812; 90;  

COD ID: 1573517
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1288.8
Cell parameters: 16.469; 4.4857; 19.042; 90; 113.63; 90;  

COD ID: 1573518
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1286.8
Cell parameters: 16.462; 4.4828; 19.038; 90; 113.66; 90;  

COD ID: 1573519
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1280.1
Cell parameters: 16.446; 4.46879; 19.038; 90; 113.81; 90;  

COD ID: 1573520
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1280
Cell parameters: 16.33; 4.4824; 19.06; 90; 113.4; 90;  

COD ID: 1573521
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1508.63
Cell parameters: 16.6688; 4.9269; 19.3733; 90; 108.522; 90;  

COD ID: 1573522
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1508.7
Cell parameters: 16.661; 4.9284; 19.3767; 90; 108.52; 90;  

COD ID: 1573523
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1259
Cell parameters: 16.429; 4.4214; 19.02; 90; 114.32; 90;  

COD ID: 1573524
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1257
Cell parameters: 16.44; 4.4104; 18.97; 90; 114; 90;  

COD ID: 1573525
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1246
Cell parameters: 16.46; 4.3839; 18.94; 90; 114.3; 90;  

COD ID: 1573526
CIF file Formula: - C16 H18 N2 O4 -
Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025)
Space group: I 1 2/a 1
Cell volume: 1509.1
Cell parameters: 16.6711; 4.9272; 19.3744; 90; 108.512; 90;  

COD ID: 1573579
CIF file

Original IUCr paper

 Formula: - C14 H13 N3 O4 S2 -
Comments: Jeziorna, Agata; Malinska, Maura; Sugden, Isaac; Paluch, Piotr; Dolot, Rafał; Dudek, Marta K. SCXRD, CSP-NMRX and microED in the quest for three elusive polymorphs of meloxicam. IUCrJ 12(1) (2025)
Space group: P -1
Cell volume: 1524.37
Cell parameters: 11.2439; 11.2772; 13.4027; 65.901; 87.254; 79.439;  

COD ID: 1573873
CIF file Formula: - C10 H16 N2 O3 S -
Comments: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. IUCrJ 12(2) (2025)
Space group: P 21 21 21
Cell volume: 1082.5
Cell parameters: 5.17; 10.11; 20.71; 90; 90; 90;  

COD ID: 1573874
CIF file Formula: - C12 H24 Cu2 N4 O12 -
Comments: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. IUCrJ 12(2) (2025)
Space group: P 1 21 1
Cell volume: 441.3
Cell parameters: 5.51; 8.24; 9.72; 90; 90.33; 90;  

COD ID: 1573875
CIF file Formula: - C20 H40 N4 O8 S4 Zn2 -
Comments: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. IUCrJ 12(2) (2025)
Space group: P 1 21 1
Cell volume: 637.7
Cell parameters: 9.07; 4.91; 14.97; 90; 106.94; 90;  

COD ID: 1573876
CIF file Formula: - C12 H16 N6 O4 Zn -
Comments: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. IUCrJ 12(2) (2025)
Space group: P 43 21 2
Cell volume: 1461.3
Cell parameters: 7.09; 7.09; 29.07; 90; 90; 90;  

COD ID: 1573877
CIF file Formula: - C44 H28 Co N4 -
Comments: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. IUCrJ 12(2) (2025)
Space group: P -1
Cell volume: 1485.1
Cell parameters: 9.6; 13.145; 13.28; 79.53; 71.78; 69.39;  

COD ID: 1574021
CIF file

Original IUCr paper

 Formula: - C29 H44 N2 O2 -
Comments: Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties. IUCrJ 12(2) (2025)
Space group: P 1 21/c 1
Cell volume: 2693.13
Cell parameters: 8.8766; 17.645; 17.2008; 90; 91.5518; 90;  

COD ID: 1574022
CIF file

Original IUCr paper

 Formula: - C25 H42 N2 O2 -
Comments: Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties. IUCrJ 12(2) (2025)
Space group: P 1 21/n 1
Cell volume: 2400.92
Cell parameters: 8.7047; 26.7487; 11.0627; 90; 111.236; 90;  

COD ID: 1574023
CIF file

Original IUCr paper

 Formula: - C21 H32 O2 -
Comments: Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties. IUCrJ 12(2) (2025)
Space group: P 21 21 21
Cell volume: 1903.23
Cell parameters: 4.5073; 11.4901; 36.7494; 90; 90; 90;  

COD ID: 1574357
CIF file Formula: - C3 H I O S2 -
Comments: Shukla, Rahul; Aubert, Emmanuel; Brezgunova, Mariya; Lebègue, Sébastien; Fourmigué, Marc; Espinosa, Enrique The origin of synthons and supramolecular motifs: beyond atoms and functional groups. IUCrJ 12(3) (2025)
Space group: P 1
Cell volume: 148.687
Cell parameters: 4.09358; 5.63601; 6.64675; 103.946; 91.017; 91.983;  

COD ID: 1574526
CIF file Formula: - C3 H7 N O2 -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 21 21 21
Cell volume: 423.113
Cell parameters: 5.79932; 5.94057; 12.2815; 90; 90; 90;  

COD ID: 1574527
CIF file Formula: - C3 H7 N O2 -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 21 21 21
Cell volume: 425.32
Cell parameters: 5.8033; 5.95953; 12.2978; 90; 90; 90;  

COD ID: 1574528
CIF file Formula: - C3 H7 N O2 -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 21 21 21
Cell volume: 427.422
Cell parameters: 5.80343; 5.98084; 12.3143; 90; 90; 90;  

COD ID: 1574529
CIF file Formula: - C3 H7 N O2 -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 21 21 21
Cell volume: 429.68
Cell parameters: 5.803; 6.0038; 12.333; 90; 90; 90;  

COD ID: 1574530
CIF file Formula: - C2 H7 N O3 S -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 1 21/c 1
Cell volume: 478.94
Cell parameters: 5.27398; 11.655; 7.8107; 90; 93.993; 90;  

COD ID: 1574531
CIF file Formula: - C2 H7 N O3 S -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 1 21/c 1
Cell volume: 483.08
Cell parameters: 5.274; 11.6462; 7.8849; 90; 94.073; 90;  

COD ID: 1574532
CIF file Formula: - C2 H7 N O3 S -
Comments: Hayashi, Mibuki; Nishioka, Takashi; Kasai, Hidetaka; Nishibori, Eiji Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography. IUCrJ 12(3) (2025)
Space group: P 1 21/c 1
Cell volume: 486.08
Cell parameters: 5.2794; 11.6513; 7.9226; 90; 94.112; 90;  

COD ID: 1574545
CIF file Formula: - C8 H11 N O -
Comments: Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ 12(3) (2025)
Space group: P 1 c 1
Cell volume: 748.8
Cell parameters: 9.1243; 9.6491; 8.7744; 90; 104.232; 90;  

COD ID: 1574546
CIF file Formula: - C8 H11 N O -
Comments: Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ 12(3) (2025)
Space group: P -1
Cell volume: 714.96
Cell parameters: 5.4977; 8.9826; 14.6789; 85.742; 89.93; 81.52;  

COD ID: 1574547
CIF file Formula: - C32 H47 N5 O7 -
Comments: Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ 12(3) (2025)
Space group: P 1 21 1
Cell volume: 1730.69
Cell parameters: 9.1192; 19.0384; 10.0172; 90; 95.648; 90;  

COD ID: 1574548
CIF file Formula: - C16.67 H24 N3.33 O4 -
Comments: Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. IUCrJ 12(3) (2025)
Space group: R -3 c :H
Cell volume: 16103.9
Cell parameters: 17.23677; 17.23677; 62.5877; 90; 90; 120;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.