Information card for entry 4519005

Structure parameters

• Common name: Pm-BBP
• Formula: C48 H30 N4 O2
• Calculated formula: C48 H30 N4 O2
• Title of publication: Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.
• Authors of publication: Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 32
• Pages of publication: 21113 - 21124
• a: 10.246 ± 0.0005 Å
• b: 12.0419 ± 0.0007 Å
• c: 15.9309 ± 0.0008 Å
• α: 92.106 ± 0.001°
• β: 102.831 ± 0.001°
• γ: 112.696 ± 0.001°
• Cell volume: 1751.64 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No