Information card for entry 7103302

Structure parameters

• Formula: C46 H52 Cl6 N6 O4
• Calculated formula: C46 H52 Cl6 N6 O4
• Title of publication: Manipulating the cavity of a porous material changes the photoreactivity of included guests.
• Authors of publication: Dewal, Mahender B; Xu, Yuewen; Yang, Jun; Mohammed, Fiaz; Smith, Mark D; Shimizu, Linda S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 3909 - 3911
• a: 11.4583 ± 0.0006 Å
• b: 22.4576 ± 0.0012 Å
• c: 9.621 ± 0.0005 Å
• α: 90°
• β: 104.505 ± 0.001°
• γ: 90°
• Cell volume: 2396.8 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No