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Information card for entry 4121581
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Coordinates | 4121581.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C372 H244 O32 P12 Zr6 |
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Calculated formula | C372 O32 P12 Zr6 |
SMILES | [Zr]1234567[O]=C(c8ccc(C#Cc9c%10ccccc%10cc(c9)P(c9ccccc9)c9ccccc9)cc8)O[Zr]89%10%11%12%13[O]=C(c%14ccc(C#Cc%15c%16ccccc%16cc(c%15)P(c%15ccccc%15)c%15ccccc%15)cc%14)O[Zr]%14%15%16%17%18%19[O]=C(c%20ccc(C#Cc%21c%22ccccc%22cc(c%21)P(c%21ccccc%21)c%21ccccc%21)cc%20)O[Zr]%20%21([O]=C(c%22ccc(C#Cc%23c%24ccccc%24cc(c%23)P(c%23ccccc%23)c%23ccccc%23)cc%22)O[Zr]%22%23([O]=C(O1)c1ccc(C#Cc%24c%25ccccc%25cc(c%24)P(c%24ccccc%24)c%24ccccc%24)cc1)(OC(=[O]%15)c1ccc(C#Cc%15c%24ccccc%24cc(c%15)P(c%15ccccc%15)c%15ccccc%15)cc1)([O]=C(c1ccc(C#Cc%15c%24ccccc%24cc(c%15)P(c%15ccccc%15)c%15ccccc%15)cc1)O[Zr]([O]=C(O9)c1ccc(C#Cc9c%15ccccc%15cc(c9)P(c9ccccc9)c9ccccc9)cc1)(OC(=[O]3)c1ccc(C#Cc3c9ccccc9cc(c3)P(c3ccccc3)c3ccccc3)cc1)([O]=C(O%16)c1ccc(C#Cc3c9ccccc9cc(c3)P(c3ccccc3)c3ccccc3)cc1)([O]5%22)([O]%11%18)([O]6%12)[O]%19%23)([O]%17%20)[O]7%21)([O]=C(O8)c1ccc(C#Cc3c5ccccc5cc(c3)P(c3ccccc3)c3ccccc3)cc1)(OC(=[O]2)c1ccc(C#Cc2c3ccccc3cc(c2)P(c2ccccc2)c2ccccc2)cc1)([O]4%10)[O]%13%14 |
Title of publication | Privileged phosphine-based metal-organic frameworks for broad-scope asymmetric catalysis. |
Authors of publication | Falkowski, Joseph M.; Sawano, Takahiro; Zhang, Teng; Tsun, Galen; Chen, Yuan; Lockard, Jenny V.; Lin, Wenbin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 14 |
Pages of publication | 5213 - 5216 |
a | 46.116 ± 0.002 Å |
b | 46.116 ± 0.002 Å |
c | 46.116 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 98074 ± 7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 196 |
Hermann-Mauguin space group symbol | F 2 3 |
Hall space group symbol | F 2 2 3 |
Residual factor for all reflections | 0.1383 |
Residual factor for significantly intense reflections | 0.1026 |
Weighted residual factors for significantly intense reflections | 0.2456 |
Weighted residual factors for all reflections included in the refinement | 0.2594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.375 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121581.html
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